data_2kdx_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 2kdx _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' ' ' HIS . . . . . . . . . . . . . 78.6 t60 . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.66 -21.31 60.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.023 1.329 . . . . 0.0 114.52 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.06 -2.81 23.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.237 1.415 . . . . 0.0 113.53 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.3 t -61.87 -54.19 45.48 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.929 0.892 . . . . 0.0 111.047 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 p -57.29 -43.27 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.571 1.148 . . . . 0.0 112.474 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.82 -66.29 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 127.684 2.394 . . . . 0.0 111.359 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.7 t -50.63 -44.4 57.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.166 1.386 . . . . 0.0 112.153 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -56.87 -56.68 18.5 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.294 1.037 . . . . 0.0 112.134 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.63 -47.84 81.11 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.89 -41.74 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.652 0.781 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.334 -0.853 . . . . 0.0 112.521 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.26 -47.01 86.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.627 1.171 . . . . 0.0 112.396 174.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.0 m -50.85 -53.09 35.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.888 0.875 . . . . 0.0 112.124 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.58 -45.18 92.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.369 1.068 . . . . 0.0 112.229 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -66.54 -35.65 80.76 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.015 1.326 . . . . 0.0 113.778 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -68.39 -44.2 75.61 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.019 -1.051 . . . . 0.0 111.994 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.87 84.87 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -67.26 -35.05 78.71 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.808 0.731 . . . . 0.0 112.814 171.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.3 -39.86 38.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.801 1.24 . . . . 0.0 111.216 -172.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -78.56 -3.71 45.07 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.249 1.42 . . . . 0.0 112.978 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 55.48 29.42 13.28 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.859 2.063 . . . . 0.0 112.46 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.28 -37.11 26.35 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.986 1.714 . . . . 0.0 111.886 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 49.89 22.64 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.94 2.096 . . . . 0.0 115.031 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -149.58 169.92 19.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.136 2.574 . . . . 0.0 110.625 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mm -119.48 171.56 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 127.561 2.344 . . . . 0.0 108.177 164.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -125.14 -51.48 1.66 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.797 1.639 . . . . 0.0 110.494 165.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -144.61 156.93 44.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.334 1.453 . . . . 0.0 110.766 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 m -126.36 148.06 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.393 1.077 . . . . 0.0 109.187 157.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -127.12 129.06 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.147 1.379 . . . . 0.0 108.742 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 p -127.51 156.46 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.992 1.317 . . . . 0.0 110.749 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.13 114.47 2.7 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 125.509 1.528 . . . . 0.0 110.305 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.7 mt -112.85 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.975 1.31 . . . . 0.0 109.068 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 141.99 42.23 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.247 0.927 . . . . 0.0 112.266 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -77.23 -1.01 27.37 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.619 -0.93 . . . . 0.0 112.952 -168.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -114.62 -1.25 13.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 128.308 2.643 . . . . 0.0 113.496 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.5 p -67.05 -20.15 65.79 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.37 9.96 0.84 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 127.92 2.488 . . . . 0.0 115.666 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.4 mtm -75.59 138.37 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.172 0.989 . . . . 0.0 111.614 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.66 108.18 9.49 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.937 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.15 -39.76 57.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.122 . . . . 0.0 113.119 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.3 t -60.19 -44.65 94.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.636 1.975 . . . . 0.0 112.738 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 tp -64.17 -48.77 74.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.072 0.949 . . . . 0.0 111.642 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -58.9 -52.81 64.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.639 0.775 . . . . 0.0 112.587 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.54 -42.41 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.341 0.973 . . . . 0.0 113.325 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -60.38 -34.48 73.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 117.949 0.341 . . . . 0.0 111.701 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.97 65.89 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.472 -0.767 . . . . 0.0 112.105 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -55.23 -47.73 74.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.859 1.264 . . . . 0.0 113.421 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -32.7 74.46 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.998 1.319 . . . . 0.0 112.823 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.7 m -67.37 -56.67 8.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.67 1.188 . . . . 0.0 111.581 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -73.86 -8.15 54.97 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -36.81 30.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.646 1.978 . . . . 0.0 112.646 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -63.49 -10.83 19.51 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.746 2.418 . . . . 0.0 115.348 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.61 -28.56 68.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.107 0.963 . . . . 0.0 113.163 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -138.72 129.54 26.45 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.887 1.275 . . . . 0.0 111.974 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -35.29 80.04 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.998 -1.064 . . . . 0.0 113.185 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.05 -24.79 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.191 1.396 . . . . 0.0 112.56 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.41 -28.47 37.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.796 1.638 . . . . 0.0 113.241 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -68.19 -27.3 66.28 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -168.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -89.62 73.48 7.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.116 1.367 . . . . 0.0 110.774 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.41 166.08 34.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.167 1.387 . . . . 0.0 112.387 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.6 mm -138.26 148.99 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.784 2.034 . . . . 0.0 109.022 165.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tp -109.25 118.85 37.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.784 2.034 . . . . 0.0 110.749 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.6 111.28 23.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.82 2.048 . . . . 0.0 112.172 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.93 107.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.489 1.116 . . . . 0.0 112.061 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.99 122.19 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.051 1.341 . . . . 0.0 110.133 164.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.11 106.69 4.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.982 1.313 . . . . 0.0 110.261 168.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -96.65 148.23 23.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.127 0.971 . . . . 0.0 112.717 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.87 179.43 7.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.417 1.487 . . . . 0.0 112.609 -176.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.6 t -112.41 140.34 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.572 1.549 . . . . 0.0 110.826 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.18 136.82 28.54 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.105 1.362 . . . . 0.0 112.254 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -111.29 113.01 25.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.007 2.123 . . . . 0.0 110.707 -174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.12 149.43 21.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.389 1.476 . . . . 0.0 111.407 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 4.4 t -96.33 139.79 31.94 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.009 0.924 . . . . 0.0 111.904 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -55.48 -70.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.993 2.517 . . . . 0.0 115.056 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -112.28 25.53 11.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.054 2.142 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 5.5 t -115.55 -146.32 0.4 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.719 2.808 . . . . 0.0 110.909 -160.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t -158.25 42.34 0.28 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.849 . . . . 0.0 112.493 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -146.48 156.57 43.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.8 t -146.61 134.35 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 127.801 2.441 . . . . 0.0 109.732 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -143.88 177.58 8.44 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.561 1.144 . . . . 0.0 113.844 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.93 143.3 25.89 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.135 1.774 . . . . 0.0 112.363 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -70.54 108.65 2.27 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.833 2.355 . . . . 0.0 111.285 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.757 1.223 . . . . 0.0 112.495 -175.684 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.482 0 N-CA-C 115.429 0.931 . . . . 0.0 115.429 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 m -66.34 162.43 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.032 1.733 . . . . 0.0 112.428 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 147.53 53.31 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.22 1.01 . . . . 0.0 111.535 172.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.46 -44.59 86.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.049 0.94 . . . . 0.0 112.064 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -74.98 -56.33 4.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.3 p -113.72 123.21 49.33 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.211 1.404 . . . . 0.0 112.009 -172.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -79.59 67.97 5.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.248 -1.532 . . . . 0.0 113.41 -168.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.1 t -144.79 164.37 31.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.329 1.852 . . . . 0.0 110.966 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -104.77 21.63 16.59 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.52 1.928 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -65.74 -4.95 7.32 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.756 2.022 . . . . 0.0 115.229 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.79 152.51 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 126.067 1.747 . . . . 0.0 113.684 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.09 156.25 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.39 1.476 . . . . 0.0 112.735 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.4 mm -70.22 109.86 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.828 1.251 . . . . 0.0 109.276 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.9 t -94.08 -11.5 30.48 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.245 0.545 . . . . 0.0 112.01 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -160.18 129.66 5.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.135 2.174 . . . . 0.0 107.725 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.13 -32.33 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.612 1.101 . . . . 0.0 114.223 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.24 -23.55 26.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.371 1.069 . . . . 0.0 113.468 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.22 138.23 54.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.045 1.338 . . . . 0.0 112.181 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.36 155.06 23.72 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.258 1.423 . . . . 0.0 111.649 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -151.38 157.04 41.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 111.525 168.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -67.95 145.03 54.92 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.957 -0.464 . . . . 0.0 111.083 163.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -105.62 -55.52 2.31 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.077 1.351 . . . . 0.0 111.102 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 t -162.13 170.69 18.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.271 1.429 . . . . 0.0 111.323 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mt -128.97 163.0 26.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.37 1.468 . . . . 0.0 110.321 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -136.6 150.17 48.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 111.106 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.9 mtt -129.42 151.52 49.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.273 1.829 . . . . 0.0 111.206 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 126.252 1.821 . . . . 0.0 109.109 178.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t60 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -59.52 -22.66 61.96 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.751 -1.218 . . . . 0.0 113.99 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -91.31 5.16 50.34 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.731 1.613 . . . . 0.0 113.584 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -54.84 -55.85 25.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 111.518 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -56.6 -48.8 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.046 0.538 . . . . 0.0 110.931 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.19 -57.27 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 125.271 1.428 . . . . 0.0 111.591 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 t -57.9 -43.97 86.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.983 1.313 . . . . 0.0 111.844 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -64.39 -39.01 93.02 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -54.7 44.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.473 1.509 . . . . 0.0 110.164 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -55.13 -48.59 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.279 1.431 . . . . 0.0 111.62 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.73 86.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.34 1.056 . . . . 0.0 113.242 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.92 -50.77 72.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.563 1.145 . . . . 0.0 111.331 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.23 -47.39 75.42 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.902 0.881 . . . . 0.0 112.924 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.44 -54.69 37.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.758 1.223 . . . . 0.0 111.435 173.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.01 -48.28 82.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.603 1.161 . . . . 0.0 112.909 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -60.69 -42.27 96.83 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.449 -0.782 . . . . 0.0 111.76 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.14 78.02 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.672 -0.643 . . . . 0.0 112.701 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -66.25 -32.47 73.91 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.664 1.12 . . . . 0.0 112.82 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.42 -37.74 60.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.898 0.879 . . . . 0.0 111.501 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.49 -2.13 40.67 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.188 1.395 . . . . 0.0 112.938 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 56.17 27.31 11.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.907 2.083 . . . . 0.0 112.69 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.46 -34.87 41.15 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.583 1.553 . . . . 0.0 111.942 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.7 m80 55.68 9.84 0.46 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.442 2.297 . . . . 0.0 115.586 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -153.61 171.17 19.2 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 128.452 2.701 . . . . 0.0 110.558 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 mt -103.72 162.1 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.86 1.264 . . . . 0.0 108.601 166.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -99.85 -57.67 2.09 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.148 -0.97 . . . . 0.0 109.027 156.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -144.21 153.7 42.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.886 1.274 . . . . 0.0 112.632 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -123.31 147.25 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.519 1.927 . . . . 0.0 109.874 163.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.51 119.03 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.99 1.316 . . . . 0.0 109.711 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 p -107.43 141.71 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.426 1.491 . . . . 0.0 110.959 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -107.71 119.83 5.9 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 126.093 1.806 . . . . 0.0 110.748 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.5 122.9 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.842 1.257 . . . . 0.0 108.608 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.02 143.64 46.76 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 123.295 0.474 . . . . 0.0 112.499 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -68.9 -12.79 61.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.467 -1.019 . . . . 0.0 112.872 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -116.8 8.85 13.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.958 2.103 . . . . 0.0 114.081 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -66.02 -14.61 61.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.68 13.55 2.7 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.549 2.34 . . . . 0.0 115.873 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtt -76.18 173.4 11.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.612 1.565 . . . . 0.0 111.714 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -124.48 102.65 7.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.734 1.214 . . . . 0.0 111.275 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -56.56 -33.92 66.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.567 1.547 . . . . 0.0 114.198 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.1 t -65.62 -44.45 86.48 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.674 1.19 . . . . 0.0 110.918 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.42 -45.16 94.36 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.072 -0.393 . . . . 0.0 110.308 171.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -59.74 -54.32 47.66 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.492 0.495 . . . . 0.0 111.847 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.22 -42.45 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -61.4 -32.54 72.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.167 0.44 . . . . 0.0 111.814 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.49 62.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.227 1.011 . . . . 0.0 111.615 173.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -53.33 -50.24 65.4 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.73 0.695 . . . . 0.0 112.484 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.45 -34.54 77.98 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.377 1.071 . . . . 0.0 113.156 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.6 m -64.31 -50.24 68.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.316 -0.865 . . . . 0.0 111.474 171.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.55 -8.18 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.022 1.329 . . . . 0.0 114.347 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -54.45 -27.75 39.5 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.968 1.307 . . . . 0.0 113.729 -172.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.2 6.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.492 1.917 . . . . 0.0 114.063 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.35 -18.56 50.85 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.006 1.722 . . . . 0.0 114.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 t -147.04 134.82 21.19 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.3 -28.39 66.73 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.852 1.261 . . . . 0.0 113.331 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.26 -33.75 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.019 0.827 . . . . 0.0 111.83 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.5 m -81.19 -24.91 37.16 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.769 1.627 . . . . 0.0 113.177 -173.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -69.33 -10.55 58.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.589 1.556 . . . . 0.0 114.671 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -137.29 57.92 1.73 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.828 1.651 . . . . 0.0 111.174 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.07 17.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.532 1.533 . . . . 0.0 113.337 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.01 141.29 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.112 1.765 . . . . 0.0 110.479 174.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tp -113.19 107.71 16.28 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.963 1.705 . . . . 0.0 109.506 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.44 145.13 24.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.518 1.127 . . . . 0.0 111.957 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mm -103.72 146.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.571 1.548 . . . . 0.0 110.755 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.48 121.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.821 2.049 . . . . 0.0 109.155 166.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.22 99.73 1.96 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.155 0.982 . . . . 0.0 110.045 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.76 136.75 43.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.889 1.275 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.59 164.16 10.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.727 0.811 . . . . 0.0 111.211 170.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.28 159.98 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.804 1.241 . . . . 0.0 112.257 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -153.2 139.54 18.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.204 0.601 . . . . 0.0 112.493 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.7 mt -110.26 101.04 9.82 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 127.944 2.498 . . . . 0.0 111.125 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.43 146.25 28.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 170.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.82 150.04 25.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.062 1.345 . . . . 0.0 113.009 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.54 -59.52 5.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.351 1.861 . . . . 0.0 114.789 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.16 58.04 1.73 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.658 1.583 . . . . 0.0 111.178 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.74 -154.33 0.51 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.424 1.89 . . . . 0.0 111.144 -165.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 p -149.96 16.85 0.87 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.52 1.528 . . . . 0.0 113.294 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -136.07 150.52 49.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.242 1.817 . . . . 0.0 111.8 -171.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.13 151.93 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.995 1.718 . . . . 0.0 110.304 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.75 -175.88 4.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.674 1.59 . . . . 0.0 111.565 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -118.89 145.37 37.72 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.443 1.097 . . . . 0.0 112.082 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.61 111.61 1.93 Allowed 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.816 3.011 . . . . 0.0 112.278 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 125.055 1.342 . . . . 0.0 112.137 177.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.66 0 N-CA-C 115.787 1.075 . . . . 0.0 115.787 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.65 167.08 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.547 1.939 . . . . 0.0 112.034 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.26 135.53 57.76 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.192 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.26 -39.82 88.13 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.394 1.077 . . . . 0.0 111.971 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -72.88 -60.92 2.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.805 1.242 . . . . 0.0 112.209 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.7 p -116.16 105.93 13.15 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.744 1.618 . . . . 0.0 111.375 -168.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -61.48 64.76 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 128.331 2.652 . . . . 0.0 116.14 -171.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 m -145.19 159.6 42.75 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 128.172 2.589 . . . . 0.0 111.163 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -95.06 21.39 7.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.101 2.161 . . . . 0.0 113.425 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.59 -4.91 9.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.551 1.941 . . . . 0.0 115.791 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.57 157.59 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.838 1.655 . . . . 0.0 114.462 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.25 154.34 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.145 1.778 . . . . 0.0 112.128 176.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.45 108.26 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.948 1.299 . . . . 0.0 108.386 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.4 t -93.81 -4.43 50.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 113.018 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -158.05 127.31 5.78 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.426 1.89 . . . . 0.0 108.135 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.31 19.08 79.8 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 115.548 0.979 . . . . 0.0 115.548 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -65.41 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.498 1.119 . . . . 0.0 112.274 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -146.73 170.94 15.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.416 1.887 . . . . 0.0 111.91 175.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -71.45 165.66 23.35 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -155.87 161.71 40.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.668 2.387 . . . . 0.0 111.203 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -69.99 157.0 38.31 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.29 -0.881 . . . . 0.0 111.211 157.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.05 -52.82 2.29 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.566 1.146 . . . . 0.0 111.595 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.2 t -159.36 171.96 18.84 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 112.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -133.51 163.49 29.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.069 1.748 . . . . 0.0 110.423 165.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.13 147.97 39.33 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.454 1.502 . . . . 0.0 110.44 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -128.01 161.59 28.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.219 1.408 . . . . 0.0 111.065 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 126.612 1.965 . . . . 0.0 113.926 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t60 . . . . . 0 CA--C 1.55 0.954 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -38.39 5.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.598 2.359 . . . . 0.0 112.312 174.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.94 -3.45 25.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.792 1.237 . . . . 0.0 114.115 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.3 p -52.61 -54.06 38.3 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.354 1.862 . . . . 0.0 112.432 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.58 -51.07 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.582 0.753 . . . . 0.0 110.406 171.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.8 -60.52 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.472 1.109 . . . . 0.0 111.642 -168.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -40.07 76.36 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.757 1.223 . . . . 0.0 112.074 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -60.79 -39.2 87.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.784 -0.573 . . . . 0.0 112.06 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -52.15 66.21 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.144 1.378 . . . . 0.0 111.456 172.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.75 -50.72 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.453 0.701 . . . . 0.0 111.014 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.04 79.34 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.375 1.07 . . . . 0.0 112.887 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.85 -41.9 97.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.077 1.351 . . . . 0.0 112.107 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -50.35 73.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.419 1.487 . . . . 0.0 111.826 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.24 -48.32 79.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.564 1.146 . . . . 0.0 112.067 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.1 -46.76 87.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.29 1.036 . . . . 0.0 112.905 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -60.57 -42.03 95.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.247 -0.908 . . . . 0.0 111.978 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.97 89.86 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -67.13 -31.04 71.23 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.366 0.985 . . . . 0.0 113.08 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -72.59 -42.87 64.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -81.04 -1.32 43.57 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.663 1.185 . . . . 0.0 113.367 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 56.18 29.55 14.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.864 2.065 . . . . 0.0 112.798 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.99 -41.1 23.27 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.626 1.57 . . . . 0.0 112.51 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 54.2 2.1 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.366 2.667 . . . . 0.0 117.339 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -143.03 161.87 36.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.312 2.645 . . . . 0.0 109.762 165.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mm -112.81 168.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.507 1.523 . . . . 0.0 110.127 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -122.73 -53.23 1.88 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.715 1.606 . . . . 0.0 111.173 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -158.4 108.81 2.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.228 1.011 . . . . 0.0 112.85 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.23 138.13 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.72 125.71 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.297 1.439 . . . . 0.0 109.613 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.0 136.89 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.584 1.554 . . . . 0.0 109.945 -169.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.88 107.12 2.92 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.635 1.588 . . . . 0.0 111.54 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mt -109.67 129.27 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.859 1.264 . . . . 0.0 108.36 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.24 46.88 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.989 -0.444 . . . . 0.0 112.582 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.13 -9.09 51.07 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.247 -1.149 . . . . 0.0 113.139 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -117.59 10.41 13.44 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.05 2.14 . . . . 0.0 114.088 170.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -68.42 -4.62 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.51 24.15 8.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.876 2.07 . . . . 0.0 115.556 171.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ptp -119.42 129.97 55.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.792 1.637 . . . . 0.0 111.602 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -73.99 111.0 8.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.706 1.203 . . . . 0.0 111.586 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -54.78 -29.64 54.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.361 1.465 . . . . 0.0 114.468 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.8 t -59.44 -37.58 78.49 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.645 1.578 . . . . 0.0 112.572 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.88 -45.11 79.08 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.633 -0.667 . . . . 0.0 109.79 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.86 -51.9 66.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.816 -171.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.64 -42.37 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -60.31 -34.34 73.66 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.135 0.425 . . . . 0.0 111.872 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.56 64.33 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.78 0.832 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.59 -46.7 73.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.359 1.063 . . . . 0.0 112.711 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -57.46 -42.0 81.66 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.884 1.674 . . . . 0.0 112.624 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -66.02 -54.03 31.17 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.696 1.198 . . . . 0.0 112.37 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -73.52 -2.23 21.83 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -32.44 17.45 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.258 1.423 . . . . 0.0 114.449 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.75 -18.3 65.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.448 1.899 . . . . 0.0 113.958 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -64.22 -8.72 13.49 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.721 1.609 . . . . 0.0 113.414 168.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 p -128.41 -173.92 3.09 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.584 2.354 . . . . 0.0 112.26 170.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.67 -48.91 4.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.199 0.6 . . . . 0.0 111.913 154.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -60.67 -29.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.764 1.226 . . . . 0.0 113.113 -170.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -13.62 57.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.473 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -63.68 -37.45 87.4 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.333 -0.854 . . . . 0.0 111.845 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -98.34 65.32 1.66 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.173 1.389 . . . . 0.0 110.691 165.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.01 155.07 42.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.214 1.405 . . . . 0.0 112.282 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.88 150.3 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 127.932 2.493 . . . . 0.0 108.511 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 tt -123.77 132.37 53.78 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.631 1.573 . . . . 0.0 111.302 -177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.38 107.83 11.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.429 1.891 . . . . 0.0 111.424 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.67 110.8 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.656 0.782 . . . . 0.0 111.583 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.35 129.31 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.051 1.74 . . . . 0.0 109.988 165.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -77.41 101.28 6.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.748 1.219 . . . . 0.0 110.817 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.58 142.04 33.18 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.858 1.263 . . . . 0.0 112.216 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.1 163.12 28.61 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 112.359 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.6 t -128.11 140.67 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.486 1.514 . . . . 0.0 110.41 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -133.71 134.01 42.51 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.599 1.16 . . . . 0.0 112.276 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.04 102.36 10.83 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.988 1.715 . . . . 0.0 111.797 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -87.49 148.09 25.09 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 127.001 2.12 . . . . 0.0 111.985 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.85 153.3 23.01 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.309 1.043 . . . . 0.0 113.221 173.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.26 -61.41 2.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.553 1.941 . . . . 0.0 114.576 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -130.05 58.45 1.66 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.722 1.609 . . . . 0.0 111.146 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.52 -157.95 0.82 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.96 2.104 . . . . 0.0 111.512 -165.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -149.65 37.69 0.74 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.87 1.268 . . . . 0.0 111.849 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -147.95 147.96 30.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.945 1.298 . . . . 0.0 112.586 -172.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.85 154.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 126.409 1.883 . . . . 0.0 110.748 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -144.61 178.23 8.12 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.899 1.279 . . . . 0.0 114.086 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.86 134.02 36.3 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 126.812 2.045 . . . . 0.0 111.144 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.36 118.3 5.27 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.986 2.457 . . . . 0.0 112.166 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 CA--C 1.546 0.807 0 C-N-CA 124.652 1.181 . . . . 0.0 112.233 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.206 0 N-CA-C 113.858 0.303 . . . . 0.0 113.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.52 161.87 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 126.674 1.989 . . . . 0.0 112.685 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.33 140.2 58.65 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 122.075 0.94 . . . . 0.0 111.375 169.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.52 -40.21 93.81 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.248 1.019 . . . . 0.0 111.93 -175.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -75.75 -56.53 4.59 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.441 1.096 . . . . 0.0 112.076 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.81 111.77 20.18 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.799 1.64 . . . . 0.0 112.061 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -65.25 57.67 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.663 2.785 . . . . 0.0 116.0 -171.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.5 m -140.4 155.64 46.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.482 2.313 . . . . 0.0 111.296 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -88.6 20.62 3.32 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 126.027 1.731 . . . . 0.0 113.638 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.74 -4.17 8.4 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.1 156.65 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.786 1.635 . . . . 0.0 114.409 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.62 156.58 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.542 1.937 . . . . 0.0 111.93 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.8 mp -76.55 113.14 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.033 1.333 . . . . 0.0 108.544 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 t -95.07 -12.24 26.88 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 0.0 112.613 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.95 134.11 9.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 126.643 1.977 . . . . 0.0 107.61 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.62 5.97 73.99 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -64.3 -45.9 85.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.296 1.839 . . . . 0.0 112.727 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -136.18 162.52 32.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.66 1.584 . . . . 0.0 112.595 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.0 ptm -78.48 164.6 24.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.01 1.324 . . . . 0.0 114.391 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -148.78 165.31 31.83 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.979 2.112 . . . . 0.0 112.111 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.9 156.81 31.8 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 164.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.56 -45.46 2.19 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.853 1.261 . . . . 0.0 112.249 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -158.8 169.3 24.68 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.322 1.049 . . . . 0.0 112.55 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mp -138.36 98.65 3.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.106 1.763 . . . . 0.0 107.97 164.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -75.01 132.01 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.857 0.863 . . . . 0.0 108.881 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.5 ptp -143.02 136.92 28.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.21 1.404 . . . . 0.0 110.771 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 126.021 1.728 . . . . 0.0 112.681 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.1 -17.29 64.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -103.5 -3.05 25.85 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.153 1.381 . . . . 0.0 113.541 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -58.4 -50.24 74.38 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.208 1.003 . . . . 0.0 110.9 173.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -55.74 -52.74 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.36 -59.44 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.751 1.62 . . . . 0.0 111.028 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 t -58.97 -41.52 87.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.195 1.398 . . . . 0.0 111.726 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 t -61.2 -52.49 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.708 0.803 . . . . 0.0 111.74 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -56.37 20.92 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.953 1.301 . . . . 0.0 110.517 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.72 -48.61 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.867 1.667 . . . . 0.0 111.711 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.65 92.18 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.95 -46.95 87.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.756 . . . . 0.0 111.443 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -52.76 -49.32 65.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.383 1.473 . . . . 0.0 112.197 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.64 -36.9 79.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.945 1.298 . . . . 0.0 113.184 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -46.28 77.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -61.5 -41.56 97.48 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.09 0.556 . . . . 0.0 111.932 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.71 53.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.513 0.725 . . . . 0.0 112.318 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -62.1 -32.29 72.83 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -73.06 -37.75 66.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.982 0.913 . . . . 0.0 111.311 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -81.99 -1.34 47.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.727 1.611 . . . . 0.0 113.489 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.67 32.63 17.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.905 2.082 . . . . 0.0 112.676 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.29 59.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -171.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 56.33 4.15 0.13 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.461 2.304 . . . . 0.0 116.461 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -163.67 170.49 17.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.655 2.382 . . . . 0.0 111.409 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -131.52 151.04 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.81 2.044 . . . . 0.0 109.442 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.24 -60.4 1.8 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.405 0.682 . . . . 0.0 110.077 166.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -154.16 165.35 36.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 m -126.63 118.03 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.093 2.157 . . . . 0.0 109.779 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -91.27 127.58 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.279 1.431 . . . . 0.0 109.853 -173.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.17 121.57 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.544 1.137 . . . . 0.0 110.974 -173.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.21 119.71 5.53 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.618 1.58 . . . . 0.0 112.038 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.0 mt -128.81 129.61 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.794 1.637 . . . . 0.0 109.941 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.57 143.72 46.34 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 123.593 0.616 . . . . 0.0 112.831 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -28.63 49.53 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.727 -1.455 . . . . 0.0 113.647 -173.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -93.46 1.49 56.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.993 2.117 . . . . 0.0 113.9 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -66.7 -21.42 66.09 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.25 22.62 3.76 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.835 2.054 . . . . 0.0 115.144 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -58.19 136.17 57.22 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.843 1.257 . . . . 0.0 112.243 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.72 61.45 1.39 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.47 1.908 . . . . 0.0 111.94 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -53.96 -33.54 57.21 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.133 2.573 . . . . 0.0 114.715 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -61.87 -44.1 97.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.167 1.387 . . . . 0.0 112.112 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -66.54 -42.91 86.47 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.628 -0.67 . . . . 0.0 110.094 172.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.72 -54.76 43.48 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.681 -173.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.72 -42.78 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -61.32 -32.14 72.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.855 0.359 . . . . 0.0 111.891 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -46.44 58.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.231 1.012 . . . . 0.0 111.645 173.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -52.56 -47.9 66.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.587 0.755 . . . . 0.0 112.433 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.12 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.324 1.05 . . . . 0.0 112.549 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 m -58.54 -43.47 89.3 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.028 -1.045 . . . . 0.0 111.895 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -81.99 -2.39 51.42 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.265 1.426 . . . . 0.0 114.329 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -61.11 -25.97 67.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.512 1.506 . . . . 0.0 113.735 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.54 -22.62 66.16 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.917 1.687 . . . . 0.0 113.378 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.31 -16.49 59.76 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.3 m -134.03 115.86 14.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.599 1.56 . . . . 0.0 110.031 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.44 -31.43 71.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -164.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 m -72.7 -26.04 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.175 1.79 . . . . 0.0 112.524 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.1 -15.69 40.37 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.669 1.588 . . . . 0.0 112.981 -171.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -32.97 62.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.569 1.077 . . . . 0.0 113.462 173.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -87.15 -9.2 55.87 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.974 1.31 . . . . 0.0 114.217 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 162.59 28.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.7 mt -135.36 140.91 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 127.384 2.274 . . . . 0.0 108.365 172.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 129.75 34.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.632 0.773 . . . . 0.0 109.598 173.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -118.91 85.2 2.32 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.482 1.513 . . . . 0.0 111.61 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.69 129.69 36.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 111.34 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.62 118.17 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.951 2.1 . . . . 0.0 110.059 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -75.47 96.07 3.4 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.624 1.97 . . . . 0.0 112.522 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.12 130.79 35.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.218 1.407 . . . . 0.0 112.645 176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -60.71 131.7 51.54 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.283 1.033 . . . . 0.0 110.776 166.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.93 153.07 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.917 1.287 . . . . 0.0 110.733 169.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.53 145.71 31.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.763 0.825 . . . . 0.0 113.153 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.23 117.89 30.8 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.684 2.393 . . . . 0.0 110.434 -173.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -98.96 156.39 16.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.852 0.861 . . . . 0.0 111.949 169.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 t -80.54 160.5 25.16 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.81 0.814 . . . . 0.0 112.048 168.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -66.1 -69.95 0.27 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.911 2.085 . . . . 0.0 113.906 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.16 59.01 1.09 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.257 1.823 . . . . 0.0 110.659 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.69 -155.24 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.942 2.097 . . . . 0.0 110.608 -165.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 p -147.9 18.48 1.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.696 1.598 . . . . 0.0 113.309 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -131.26 152.58 50.39 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.249 1.42 . . . . 0.0 113.378 -170.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.4 t -146.0 137.9 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.962 2.505 . . . . 0.0 109.602 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -142.97 177.86 8.07 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.311 1.445 . . . . 0.0 113.199 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 143.28 26.4 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 125.748 1.619 . . . . 0.0 112.146 177.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.18 113.8 3.8 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.12 2.547 . . . . 0.0 113.253 -167.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.4 m120 . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 126.678 1.991 . . . . 0.0 109.966 169.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.761 0 N-CA-C 115.441 0.936 . . . . 0.0 115.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -69.17 168.66 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.698 1.999 . . . . 0.0 113.403 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -62.11 135.58 57.58 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 121.994 0.902 . . . . 0.0 110.858 167.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.99 -39.82 91.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.251 1.02 . . . . 0.0 112.006 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -72.49 -59.35 2.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.082 1.353 . . . . 0.0 112.277 173.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -117.75 112.32 20.28 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.307 1.443 . . . . 0.0 111.676 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -74.87 68.38 1.75 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -163.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -141.58 160.9 39.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.161 2.184 . . . . 0.0 111.361 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -91.25 13.73 16.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.9 2.08 . . . . 0.0 113.924 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -65.49 -8.01 17.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.253 1.821 . . . . 0.0 115.847 -173.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.1 m -54.84 151.5 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.987 1.715 . . . . 0.0 113.77 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.95 154.19 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.676 1.59 . . . . 0.0 112.261 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -78.7 109.08 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.589 1.156 . . . . 0.0 108.41 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.02 -9.33 53.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.91 0.884 . . . . 0.0 112.809 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -161.93 126.97 3.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.545 . . . . 0.0 108.785 -167.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.83 12.37 81.45 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.468 1.033 . . . . 0.0 115.375 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -57.74 -37.68 74.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.5 1.52 . . . . 0.0 112.862 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -145.76 171.57 14.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.175 2.19 . . . . 0.0 110.703 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.96 152.46 24.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.211 1.004 . . . . 0.0 111.909 -176.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -160.46 165.67 30.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.875 1.27 . . . . 0.0 113.273 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.95 155.61 13.08 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.36 0.664 . . . . 0.0 111.993 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -128.66 -49.01 1.26 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.653 1.181 . . . . 0.0 112.015 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.4 p -164.06 179.32 7.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.304 1.842 . . . . 0.0 111.418 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 mp -137.07 163.78 29.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.589 1.156 . . . . 0.0 110.668 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.69 146.65 38.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.987 1.315 . . . . 0.0 111.784 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.71 151.01 51.96 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.129 1.772 . . . . 0.0 111.342 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.35 1.46 . . . . 0.0 109.615 178.423 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -52.55 -59.42 4.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.666 1.586 . . . . 0.0 113.393 -169.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -87.27 -7.4 57.89 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -60.97 -50.2 74.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.097 0.959 . . . . 0.0 111.195 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 t -54.96 -51.24 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.465 0.706 . . . . 0.0 110.689 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.55 -58.86 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 125.052 1.341 . . . . 0.0 111.308 -168.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.1 t -56.7 -41.62 77.71 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.769 1.228 . . . . 0.0 112.213 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.7 t -60.61 -48.09 83.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.5 0.72 . . . . 0.0 112.287 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.37 -50.94 71.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.347 1.059 . . . . 0.0 112.459 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.68 -49.39 68.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.426 1.09 . . . . 0.0 110.883 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.72 95.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.827 0.851 . . . . 0.0 113.247 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.27 -45.34 88.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.203 1.801 . . . . 0.0 111.648 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.5 -49.78 76.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.281 1.032 . . . . 0.0 111.825 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.19 90.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.875 0.87 . . . . 0.0 112.328 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -60.59 -42.52 96.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.485 1.114 . . . . 0.0 113.35 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -69.37 -39.01 78.29 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.135 -0.978 . . . . 0.0 112.626 170.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -36.27 82.42 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -34.38 77.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.345 0.975 . . . . 0.0 112.773 170.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -76.84 -46.42 24.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.346 1.458 . . . . 0.0 110.81 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -77.56 -2.49 35.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.194 1.398 . . . . 0.0 113.097 172.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 56.37 27.67 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 112.777 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.73 55.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.727 1.611 . . . . 0.0 112.519 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m80 54.25 4.65 0.06 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 128.219 2.608 . . . . 0.0 117.402 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.88 146.01 17.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.716 2.006 . . . . 0.0 111.394 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.3 147.41 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.235 1.014 . . . . 0.0 109.488 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -89.9 -64.28 1.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.282 1.033 . . . . 0.0 110.083 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -143.62 113.07 6.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.184 1.394 . . . . 0.0 111.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -73.47 144.11 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 162.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -128.5 118.1 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.684 1.194 . . . . 0.0 109.793 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -125.21 145.16 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.986 1.714 . . . . 0.0 110.067 -174.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -117.3 135.37 11.82 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 125.006 1.289 . . . . 0.0 111.233 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -133.11 132.4 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.756 1.622 . . . . 0.0 108.393 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.95 146.8 47.06 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 121.547 0.526 . . . . 0.0 113.712 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -67.26 -17.47 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.365 1.466 . . . . 0.0 112.86 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -111.75 0.21 16.18 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.388 1.875 . . . . 0.0 113.903 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.2 m -70.6 -15.63 62.77 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.405 1.082 . . . . 0.0 113.834 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.29 3.05 0.23 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 128.337 2.655 . . . . 0.0 117.334 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.8 mtm -68.99 119.52 13.42 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.818 1.247 . . . . 0.0 111.002 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -69.5 93.56 0.69 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.406 1.482 . . . . 0.0 112.71 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -51.54 -36.08 43.51 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.829 2.052 . . . . 0.0 114.332 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -62.64 -39.37 93.65 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.693 1.597 . . . . 0.0 112.982 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.49 -43.43 63.66 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.362 -0.836 . . . . 0.0 109.705 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -58.13 -53.7 55.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.577 0.751 . . . . 0.0 111.629 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.96 -42.98 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 172.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -62.12 -31.37 71.83 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.237 0.472 . . . . 0.0 111.816 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -48.03 64.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.043 0.937 . . . . 0.0 111.677 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.76 -45.96 85.2 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.945 0.898 . . . . 0.0 112.225 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.92 -50.0 75.69 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 0.0 111.51 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.1 m -54.61 -52.01 63.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.992 0.917 . . . . 0.0 111.587 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -79.67 9.62 4.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -31.29 19.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.189 1.359 . . . . 0.0 113.128 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.62 -20.63 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.823 1.649 . . . . 0.0 114.383 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.57 -18.0 64.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.8 1.24 . . . . 0.0 113.207 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -151.07 123.29 8.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.642 1.177 . . . . 0.0 112.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.52 -27.9 51.45 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.404 1.082 . . . . 0.0 113.31 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 m -66.5 -28.82 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.487 1.115 . . . . 0.0 113.161 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.19 -23.86 28.15 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.099 1.76 . . . . 0.0 113.619 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.12 -11.32 38.8 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.44 1.37 11.76 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.238 1.815 . . . . 0.0 113.519 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.66 169.17 17.98 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.138 1.375 . . . . 0.0 113.445 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.0 mm -132.92 157.52 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 127.353 2.261 . . . . 0.0 108.967 169.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tp -121.39 103.79 9.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.131 1.773 . . . . 0.0 110.717 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.77 124.21 32.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.806 1.642 . . . . 0.0 111.815 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.8 mt -116.91 99.12 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.505 1.122 . . . . 0.0 111.264 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.4 t -69.84 127.77 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 127.011 2.124 . . . . 0.0 111.311 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -79.01 100.03 7.13 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.107 1.363 . . . . 0.0 110.811 168.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -83.06 140.5 32.64 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.498 1.119 . . . . 0.0 112.671 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.72 160.02 32.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.592 0.757 . . . . 0.0 111.636 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.83 140.27 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.285 1.434 . . . . 0.0 110.209 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.24 138.15 39.81 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.4 mt -117.96 97.29 5.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 127.129 2.172 . . . . 0.0 112.876 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 152.77 33.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 126.935 2.094 . . . . 0.0 112.338 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.27 163.37 24.03 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 121.949 0.88 . . . . 0.0 112.601 170.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -68.4 -67.26 0.48 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.584 1.954 . . . . 0.0 114.057 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.27 60.52 1.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.782 1.633 . . . . 0.0 111.056 -169.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.24 -159.78 1.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.995 2.118 . . . . 0.0 111.254 -163.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -150.52 63.08 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.482 1.113 . . . . 0.0 110.353 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -155.74 154.57 31.65 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.393 1.077 . . . . 0.0 113.239 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 p -151.04 140.56 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 127.263 2.225 . . . . 0.0 111.146 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.76 -178.44 5.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.832 2.053 . . . . 0.0 111.822 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -110.02 146.0 33.26 Favored Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 124.703 1.201 . . . . 0.0 112.564 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -65.52 101.23 0.43 Allowed 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.791 2.994 . . . . 0.0 112.008 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 112.114 -177.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.633 0 N-CA-C 116.568 1.387 . . . . 0.0 116.568 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.17 165.51 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.234 1.414 . . . . 0.0 112.773 169.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.04 140.41 58.84 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 122.077 0.942 . . . . 0.0 110.858 169.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.46 -38.29 89.23 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.785 0.834 . . . . 0.0 111.839 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.29 -56.41 4.58 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.368 1.067 . . . . 0.0 112.468 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.66 124.44 49.73 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.225 1.41 . . . . 0.0 112.295 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -78.54 69.41 4.72 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.356 -1.465 . . . . 0.0 113.545 -168.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -145.93 159.27 43.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.168 2.187 . . . . 0.0 110.824 172.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -99.58 22.53 10.71 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.908 1.683 . . . . 0.0 113.079 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.79 -3.03 13.77 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.313 2.245 . . . . 0.0 115.792 -173.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.4 m -53.95 152.46 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.956 1.703 . . . . 0.0 114.399 -174.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 155.76 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.244 1.818 . . . . 0.0 112.012 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.09 111.36 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.679 1.192 . . . . 0.0 108.448 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.5 t -92.26 -13.03 31.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.851 0.86 . . . . 0.0 112.414 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -157.57 125.65 5.45 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 127.354 2.262 . . . . 0.0 107.567 -170.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.78 38.84 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 115.71 1.044 . . . . 0.0 115.71 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -58.47 -48.9 79.25 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.83 1.315 . . . . 0.0 112.333 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -153.38 167.56 29.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.66 1.584 . . . . 0.0 112.52 -172.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.5 ttt -66.91 147.77 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.221 1.408 . . . . 0.0 112.402 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -141.9 152.72 43.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.424 1.49 . . . . 0.0 112.503 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.14 115.77 17.21 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.601 1.561 . . . . 0.0 108.781 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.01 -64.5 0.93 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.952 0.796 . . . . 0.0 111.199 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -159.27 171.26 20.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.639 1.576 . . . . 0.0 113.113 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.02 115.39 17.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.613 1.565 . . . . 0.0 109.629 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -78.66 107.47 11.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.785 0.834 . . . . 0.0 108.841 167.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.48 150.78 41.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.915 0.886 . . . . 0.0 111.435 173.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 123.737 0.815 . . . . 0.0 110.574 173.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.26 -29.15 65.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.683 1.193 . . . . 0.0 113.656 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -71.82 -5.88 37.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.185 1.394 . . . . 0.0 114.172 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.6 t -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.502 1.121 . . . . 0.0 111.817 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.57 -50.66 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.378 0.671 . . . . 0.0 110.556 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.43 -58.23 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.683 1.593 . . . . 0.0 111.554 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.9 t -57.31 -42.84 82.58 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.289 1.436 . . . . 0.0 111.97 175.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -62.18 -48.39 80.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.33 0.652 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.06 -54.36 36.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.082 1.753 . . . . 0.0 110.525 176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -49.95 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.319 1.448 . . . . 0.0 111.72 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.42 85.67 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.33 -47.52 81.86 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.631 0.772 . . . . 0.0 111.506 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 t -54.3 -48.66 71.03 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.615 1.166 . . . . 0.0 112.162 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -53.86 -59.5 4.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.321 1.448 . . . . 0.0 111.911 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.37 75.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.926 1.29 . . . . 0.0 113.22 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.36 -42.85 96.65 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.459 -0.775 . . . . 0.0 112.187 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.75 72.99 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.631 -0.668 . . . . 0.0 112.475 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -66.65 -26.04 66.87 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.507 1.049 . . . . 0.0 113.672 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -71.07 -42.88 68.81 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.314 1.046 . . . . 0.0 110.748 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -79.49 -3.83 48.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.184 1.794 . . . . 0.0 113.189 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 61.74 23.91 14.13 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.725 2.01 . . . . 0.0 112.7 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.84 -43.87 29.05 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.041 1.336 . . . . 0.0 112.747 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 56.73 5.93 0.26 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.737 2.415 . . . . 0.0 116.751 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.13 170.23 21.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.52 2.728 . . . . 0.0 110.612 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -129.35 153.98 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.447 1.499 . . . . 0.0 110.459 -166.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.04 -67.08 0.85 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.093 0.957 . . . . 0.0 108.475 162.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -145.04 169.8 17.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.726 1.61 . . . . 0.0 113.938 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.28 126.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 127.711 2.404 . . . . 0.0 108.7 168.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.12 127.88 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.208 1.403 . . . . 0.0 109.986 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.9 t -131.43 122.7 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.348 1.059 . . . . 0.0 111.617 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.11 137.11 13.69 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.678 1.609 . . . . 0.0 113.211 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mt -135.0 131.54 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.984 2.113 . . . . 0.0 108.731 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.49 128.91 46.45 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 123.73 0.681 . . . . 0.0 113.067 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -68.94 -18.91 64.16 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.305 -1.115 . . . . 0.0 113.8 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.56 -4.75 23.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.101 1.361 . . . . 0.0 113.928 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -78.84 -14.27 59.34 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.919 1.288 . . . . 0.0 113.269 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.03 16.86 2.36 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.887 2.475 . . . . 0.0 116.934 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.36 136.0 55.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.181 0.993 . . . . 0.0 111.614 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -72.8 86.88 1.26 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.274 1.43 . . . . 0.0 112.427 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -26.59 45.6 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -57.99 -38.89 76.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.007 1.323 . . . . 0.0 112.062 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.06 -43.95 81.39 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.654 -0.654 . . . . 0.0 110.0 172.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.9 -53.27 59.81 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -170.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -41.79 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t -62.68 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.02 68.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.992 0.917 . . . . 0.0 111.42 173.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -54.47 30.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.838 0.855 . . . . 0.0 111.512 170.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -71.95 -18.59 62.0 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.7 m -67.83 -56.86 7.56 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.175 -0.953 . . . . 0.0 110.981 166.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -77.01 -9.65 58.84 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.82 -30.77 15.15 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.288 1.435 . . . . 0.0 114.268 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.75 -30.84 15.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.909 2.084 . . . . 0.0 114.122 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.44 -16.72 56.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.34 1.456 . . . . 0.0 114.388 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -138.03 125.49 21.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.54 1.536 . . . . 0.0 113.022 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.77 -34.46 71.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.482 1.113 . . . . 0.0 112.668 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -32.64 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.262 0.625 . . . . 0.0 111.479 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.5 m -76.26 -23.6 54.47 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 125.531 1.533 . . . . 0.0 112.72 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -68.17 -14.16 62.77 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.913 1.285 . . . . 0.0 113.696 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -129.28 76.55 1.73 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.65 1.98 . . . . 0.0 109.571 170.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.92 166.29 33.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.753 2.021 . . . . 0.0 111.904 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.6 mt -134.84 151.39 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 126.114 1.766 . . . . 0.0 109.107 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tt -118.5 110.68 17.69 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.879 1.272 . . . . 0.0 110.359 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.86 108.41 20.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.263 1.825 . . . . 0.0 111.218 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mm -68.8 140.13 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.448 1.099 . . . . 0.0 110.381 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -128.59 123.94 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.052 1.741 . . . . 0.0 110.185 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.81 96.73 4.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.649 0.78 . . . . 0.0 110.508 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.49 144.41 55.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 110.75 169.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.95 164.03 7.03 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.573 -0.705 . . . . 0.0 111.484 166.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.13 160.58 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.964 0.906 . . . . 0.0 111.179 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -157.21 144.22 18.47 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.503 0.721 . . . . 0.0 110.959 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mp -123.83 124.6 43.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.914 1.685 . . . . 0.0 111.119 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -96.81 156.11 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.962 0.905 . . . . 0.0 111.928 171.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.2 155.06 22.71 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.879 0.872 . . . . 0.0 111.597 168.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -70.23 0.24 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.02 2.128 . . . . 0.0 113.821 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -115.07 59.86 0.7 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.101 1.76 . . . . 0.0 111.66 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.89 -153.27 0.46 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.162 2.585 . . . . 0.0 109.627 -168.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 t -147.42 14.24 1.1 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 168.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -127.6 158.94 36.16 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.729 1.212 . . . . 0.0 113.694 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -146.79 133.22 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.703 2.401 . . . . 0.0 109.982 -168.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.19 -177.78 6.13 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.057 1.343 . . . . 0.0 114.127 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.01 142.26 24.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.835 1.654 . . . . 0.0 113.011 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -72.98 109.71 2.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.394 3.396 . . . . 0.0 112.714 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 m120 . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 126.858 2.063 . . . . 0.0 109.64 172.119 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.566 0 N-CA-C 116.391 1.317 . . . . 0.0 116.391 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 m -58.79 167.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 118.657 1.229 . . . . 0.0 112.658 167.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.32 161.34 3.38 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.358 1.463 . . . . 0.0 111.975 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.43 -46.16 18.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.553 . . . . 0.0 111.448 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -79.28 -75.41 0.24 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 111.766 176.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.2 p -71.35 176.07 4.91 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.097 1.359 . . . . 0.0 111.657 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -123.09 44.23 2.73 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.602 -1.311 . . . . 0.0 113.716 -169.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.9 m -131.53 155.67 47.05 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.695 1.198 . . . . 0.0 111.964 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -92.13 15.64 13.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.214 2.206 . . . . 0.0 113.711 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -0.11 5.32 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.692 1.997 . . . . 0.0 115.788 -176.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.47 149.02 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.598 1.159 . . . . 0.0 112.842 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.36 152.05 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.516 1.527 . . . . 0.0 111.846 178.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.57 115.06 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.538 1.535 . . . . 0.0 108.227 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -101.16 -6.31 24.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.458 1.103 . . . . 0.0 112.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -154.45 121.83 5.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.598 1.959 . . . . 0.0 108.836 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 95.77 2.94 61.06 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.851 1.215 . . . . 0.0 115.511 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.3 -33.32 67.56 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.411 1.485 . . . . 0.0 114.276 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -137.35 154.13 50.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.563 1.545 . . . . 0.0 110.768 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ptm -76.63 147.43 37.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.331 0.652 . . . . 0.0 111.987 170.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -150.18 153.15 35.79 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.654 1.582 . . . . 0.0 111.903 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -61.3 153.71 25.77 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.888 -0.507 . . . . 0.0 112.198 167.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -118.51 -51.99 2.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.075 1.35 . . . . 0.0 111.916 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -160.79 173.65 15.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.363 1.065 . . . . 0.0 112.19 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.64 160.33 23.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.544 1.538 . . . . 0.0 109.561 166.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -126.98 143.69 51.22 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.924 1.69 . . . . 0.0 110.108 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.7 mtt -134.59 157.95 45.27 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.784 1.634 . . . . 0.0 110.8 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.2 mt . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 125.188 1.395 . . . . 0.0 111.395 -178.45 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -56.12 -44.49 79.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.014 1.325 . . . . 0.0 112.335 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -86.04 0.61 52.96 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.821 1.248 . . . . 0.0 114.08 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.0 t -58.1 -55.02 40.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.033 0.933 . . . . 0.0 111.178 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.23 -49.17 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.659 0.783 . . . . 0.0 111.06 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.11 -61.79 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 125.372 1.469 . . . . 0.0 111.38 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.7 t -59.9 -44.25 94.37 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.056 1.342 . . . . 0.0 111.619 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 m -60.94 -48.59 81.11 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.352 0.661 . . . . 0.0 112.248 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.57 -52.85 63.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.052 0.842 . . . . 0.0 112.373 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -51.29 -48.27 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.196 0.999 . . . . 0.0 111.127 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.94 88.1 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -43.78 97.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.183 1.393 . . . . 0.0 111.788 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.51 -48.33 82.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.427 1.491 . . . . 0.0 112.361 173.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -56.26 -48.59 76.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.146 0.978 . . . . 0.0 111.238 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.39 -47.78 78.24 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.976 1.31 . . . . 0.0 112.409 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -61.87 -40.8 96.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.126 -0.984 . . . . 0.0 112.408 173.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.4 92.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.325 0.966 . . . . 0.0 112.317 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -19.38 61.72 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -81.59 -42.68 19.73 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.695 1.198 . . . . 0.0 111.023 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -81.0 -5.54 57.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.138 1.775 . . . . 0.0 113.028 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 63.46 21.68 12.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.904 2.082 . . . . 0.0 112.886 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.88 69.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.725 1.21 . . . . 0.0 112.376 -173.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.4 m80 55.01 18.06 2.11 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.716 2.006 . . . . 0.0 114.699 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -165.56 174.71 9.6 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 129.367 3.067 . . . . 0.0 110.115 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -114.47 177.35 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 126.299 1.84 . . . . 0.0 107.985 170.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -118.27 -62.53 1.53 Allowed 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.283 -1.511 . . . . 0.0 110.011 160.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -153.82 107.41 2.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.975 0.91 . . . . 0.0 112.341 -168.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -78.6 147.68 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.927 0.891 . . . . 0.0 110.86 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.73 114.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.242 1.417 . . . . 0.0 109.653 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.3 t -131.19 117.05 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.06 1.344 . . . . 0.0 111.38 -171.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.34 134.84 13.95 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.043 1.306 . . . . 0.0 112.528 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -130.13 131.14 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.371 1.869 . . . . 0.0 108.314 174.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.3 143.74 48.62 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.864 0.745 . . . . 0.0 113.925 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.01 -16.73 63.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.591 1.157 . . . . 0.0 112.877 -173.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -113.69 3.23 15.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.422 1.889 . . . . 0.0 113.944 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -68.55 -23.95 64.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.944 0.898 . . . . 0.0 112.985 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.27 9.97 0.4 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 128.121 2.568 . . . . 0.0 116.727 173.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.72 154.87 41.43 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.139 -0.975 . . . . 0.0 112.94 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.99 85.78 4.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.98 1.312 . . . . 0.0 111.514 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -54.14 -28.24 38.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.255 1.822 . . . . 0.0 114.63 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 t -55.76 -42.47 75.5 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.679 1.592 . . . . 0.0 112.28 172.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.312 0.505 . . . . 0.0 110.69 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.04 -50.37 73.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 110.968 -174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -41.35 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 p -66.87 -31.65 72.39 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.078 0.399 . . . . 0.0 111.911 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.04 -49.79 64.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.507 1.123 . . . . 0.0 111.123 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.34 -55.28 19.26 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.756 0.823 . . . . 0.0 111.567 172.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.42 -42.47 78.1 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.527 1.531 . . . . 0.0 113.338 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -63.3 -44.24 95.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.51 0.724 . . . . 0.0 112.053 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -83.57 -25.48 30.9 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -63.1 -14.98 54.94 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.54 -9.74 14.67 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.543 1.537 . . . . 0.0 114.525 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -62.79 -18.62 63.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.517 1.527 . . . . 0.0 113.82 172.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -137.52 174.0 11.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.917 1.687 . . . . 0.0 111.396 173.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.27 -46.34 9.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.25 1.42 . . . . 0.0 111.549 173.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -62.97 -28.45 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 125.191 1.396 . . . . 0.0 112.044 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.72 -21.32 59.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.55 2.34 . . . . 0.0 113.418 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -81.9 -36.12 28.45 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -77.52 74.94 4.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.674 1.19 . . . . 0.0 110.198 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.24 158.05 43.86 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.864 1.265 . . . . 0.0 112.538 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.3 mt -131.7 148.4 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.528 2.331 . . . . 0.0 107.719 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -116.61 105.24 12.22 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.967 1.307 . . . . 0.0 111.326 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -80.82 105.9 12.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.451 1.1 . . . . 0.0 111.595 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.29 105.59 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 109.341 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.34 130.58 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.245 1.418 . . . . 0.0 110.304 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.68 94.06 2.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.745 1.218 . . . . 0.0 111.45 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.45 123.94 26.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.581 1.153 . . . . 0.0 110.911 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 160.02 12.8 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.224 -0.923 . . . . 0.0 111.991 170.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.79 159.36 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.025 0.93 . . . . 0.0 112.344 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -151.46 140.23 20.84 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.53 98.02 6.98 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.567 2.347 . . . . 0.0 111.591 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.82 150.09 29.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.861 1.665 . . . . 0.0 111.857 167.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.6 t -90.1 154.24 19.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.176 1.39 . . . . 0.0 112.872 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -62.34 -63.29 1.28 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.247 1.819 . . . . 0.0 114.493 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -128.76 60.1 1.53 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.698 1.599 . . . . 0.0 111.023 -170.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -141.62 -156.83 0.71 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.889 2.076 . . . . 0.0 111.39 -165.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 t -151.01 33.33 0.59 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.887 1.275 . . . . 0.0 112.319 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -147.02 150.77 35.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.982 1.313 . . . . 0.0 112.486 -171.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.58 151.68 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 126.176 1.79 . . . . 0.0 110.848 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.75 -175.29 4.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.772 1.629 . . . . 0.0 112.03 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -113.89 145.69 34.03 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.791 1.236 . . . . 0.0 112.508 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.55 110.43 1.85 Allowed 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 124.096 3.198 . . . . 0.0 112.497 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 125.476 1.51 . . . . 0.0 111.633 177.036 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.596 0 N-CA-C 115.497 0.959 . . . . 0.0 115.497 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 m -64.84 162.74 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.092 1.757 . . . . 0.0 112.051 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -66.55 148.54 51.75 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.248 1.019 . . . . 0.0 111.428 172.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.44 -44.81 81.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.702 0.801 . . . . 0.0 111.967 -175.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -74.25 -56.42 4.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.669 1.188 . . . . 0.0 112.175 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.0 p -111.64 123.88 51.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.524 1.53 . . . . 0.0 111.527 -173.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.59 60.49 3.31 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.24 -1.537 . . . . 0.0 113.609 -168.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.3 m -138.48 155.95 47.97 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.043 2.137 . . . . 0.0 110.793 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -100.44 16.4 24.68 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.967 1.707 . . . . 0.0 113.279 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.52 -1.07 5.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.823 2.449 . . . . 0.0 115.984 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.0 m -56.11 154.35 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.464 1.506 . . . . 0.0 113.978 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.7 155.23 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.219 1.808 . . . . 0.0 111.854 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 mm -77.51 107.73 9.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.143 0.977 . . . . 0.0 108.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.6 t -90.41 -10.04 45.33 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.445 -0.784 . . . . 0.0 112.279 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -159.15 126.03 4.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.551 1.941 . . . . 0.0 108.414 -173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.05 22.45 59.26 Favored Glycine 0 CA--C 1.536 1.381 0 N-CA-C 114.832 0.693 . . . . 0.0 114.832 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -33.58 72.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 112.265 175.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -149.51 165.56 31.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.877 1.671 . . . . 0.0 111.748 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.1 ptm -69.43 144.99 53.15 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.18 0.592 . . . . 0.0 112.27 172.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -150.95 144.61 25.05 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.953 1.701 . . . . 0.0 111.516 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -61.25 149.68 37.01 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.677 -0.639 . . . . 0.0 112.723 167.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -105.2 -60.0 1.68 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.417 1.487 . . . . 0.0 110.319 170.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.4 p -155.8 165.86 35.24 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.459 1.504 . . . . 0.0 112.776 -169.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.7 mt -132.96 108.32 8.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.934 1.693 . . . . 0.0 109.313 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -77.15 143.36 39.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.432 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 62.2 mtt -131.59 140.19 49.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.717 1.607 . . . . 0.0 112.442 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 125.742 1.617 . . . . 0.0 111.36 175.671 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.47 -26.48 68.55 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -84.71 -2.5 57.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 t -56.71 -50.11 73.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.16 -49.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.577 0.751 . . . . 0.0 110.892 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.49 -56.46 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.229 1.011 . . . . 0.0 111.015 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -57.88 -38.19 75.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.343 1.057 . . . . 0.0 112.003 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.5 t -62.6 -43.59 98.43 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.736 0.814 . . . . 0.0 111.863 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tt -56.39 -50.15 72.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.676 1.19 . . . . 0.0 111.106 174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.5 -49.41 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.227 0.922 . . . . 0.0 111.1 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.67 90.7 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.34 1.056 . . . . 0.0 113.018 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 mt -63.18 -50.89 68.56 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.048 1.339 . . . . 0.0 111.914 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.8 m -55.83 -46.16 78.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.294 0.952 . . . . 0.0 112.502 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.0 -56.92 13.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.545 1.138 . . . . 0.0 111.964 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.88 -48.28 82.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.129 0.972 . . . . 0.0 113.172 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -62.06 -38.43 88.75 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.149 -0.969 . . . . 0.0 112.18 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.41 72.21 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.82 0.736 . . . . 0.0 112.037 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.2 -31.84 73.21 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.444 1.02 . . . . 0.0 113.119 175.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -71.47 -40.24 70.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.399 1.079 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -79.3 -5.07 53.62 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.205 1.402 . . . . 0.0 113.32 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.86 31.51 19.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.818 2.047 . . . . 0.0 112.372 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.3 -33.12 29.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.497 1.519 . . . . 0.0 113.214 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 52.75 16.31 0.66 Allowed 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 126.887 2.075 . . . . 0.0 115.365 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -158.68 163.54 36.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.825 1.65 . . . . 0.0 111.498 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.4 mm -131.71 133.84 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.65 1.98 . . . . 0.0 107.857 168.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.66 -55.63 4.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 0.0 109.026 168.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -148.31 160.37 43.05 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.92 113.53 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.911 2.484 . . . . 0.0 110.402 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 t -89.47 125.14 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.771 1.629 . . . . 0.0 110.123 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.19 122.0 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.855 1.262 . . . . 0.0 111.05 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.2 122.49 6.2 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.808 1.67 . . . . 0.0 111.72 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mt -125.8 122.21 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.204 1.402 . . . . 0.0 109.142 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.66 136.23 49.12 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.318 0.961 . . . . 0.0 112.738 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -68.37 -12.61 61.38 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.443 -1.034 . . . . 0.0 113.319 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -110.9 0.89 17.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.572 1.949 . . . . 0.0 114.21 173.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 m -70.96 -9.01 57.14 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.54 19.74 4.4 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.05 2.14 . . . . 0.0 115.459 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.79 136.39 54.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.789 1.236 . . . . 0.0 111.445 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -74.89 86.87 2.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.42 0.688 . . . . 0.0 109.672 163.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -58.67 -31.91 68.62 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.656 -1.277 . . . . 0.0 113.899 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.1 t -60.85 -44.94 96.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.631 1.572 . . . . 0.0 111.952 170.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.77 -49.06 79.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.901 0.88 . . . . 0.0 110.171 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.66 -51.33 67.6 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.75 -39.67 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -64.3 -30.3 71.35 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.03 -47.63 61.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.947 1.299 . . . . 0.0 110.805 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -52.13 -49.44 63.7 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.68 -0.637 . . . . 0.0 112.461 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.6 -24.77 67.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.22 1.808 . . . . 0.0 113.71 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.0 m -75.05 -63.47 1.26 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 170.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -77.35 -4.86 47.28 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -167.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -21.59 13.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.414 1.486 . . . . 0.0 114.864 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.32 -22.28 64.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.938 1.695 . . . . 0.0 114.237 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.62 -15.3 51.0 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.421 1.089 . . . . 0.0 113.347 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -131.04 -174.83 3.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.536 1.934 . . . . 0.0 111.01 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.7 tp -110.92 -41.86 4.14 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.631 1.572 . . . . 0.0 111.822 169.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -60.9 -23.44 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.818 1.247 . . . . 0.0 112.714 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.1 m -78.31 -28.67 47.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.221 1.409 . . . . 0.0 113.295 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -71.53 -11.68 60.99 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -124.77 7.48 8.13 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.754 1.622 . . . . 0.0 113.674 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.24 170.03 16.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.483 1.513 . . . . 0.0 113.313 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.4 mt -128.17 152.81 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.936 1.694 . . . . 0.0 109.885 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tt -112.79 111.09 21.62 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.915 1.286 . . . . 0.0 110.693 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.11 96.95 10.05 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.434 1.094 . . . . 0.0 111.579 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.17 107.79 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.213 1.005 . . . . 0.0 109.933 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.0 t -93.96 117.91 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.499 1.52 . . . . 0.0 109.953 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.46 97.49 2.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.016 1.326 . . . . 0.0 110.816 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -77.96 116.08 18.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.423 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.66 140.21 58.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.419 0.688 . . . . 0.0 110.939 174.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.03 161.04 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.773 1.229 . . . . 0.0 111.628 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -152.08 140.67 20.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.676 0.79 . . . . 0.0 112.234 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.44 112.69 24.61 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.106 2.162 . . . . 0.0 111.611 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -91.93 154.18 19.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.232 0.613 . . . . 0.0 111.759 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.9 t -79.18 157.58 27.85 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.796 0.808 . . . . 0.0 111.826 166.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -60.55 -65.13 0.74 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.934 2.094 . . . . 0.0 114.65 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -131.24 58.12 1.73 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.558 1.543 . . . . 0.0 110.808 -169.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.02 -156.06 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.555 1.942 . . . . 0.0 111.383 -162.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -139.6 4.11 2.13 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -122.05 159.02 27.92 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.972 1.309 . . . . 0.0 114.228 -172.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.23 133.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 128.282 2.633 . . . . 0.0 109.594 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -138.26 -175.82 4.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.032 1.733 . . . . 0.0 112.616 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -113.94 145.72 34.13 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 125.226 1.41 . . . . 0.0 113.455 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.09 104.85 1.28 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.208 3.272 . . . . 0.0 112.324 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 125.992 1.717 . . . . 0.0 111.074 176.177 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 N-CA-C 114.517 0.567 . . . . 0.0 114.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.05 161.32 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 126.76 2.024 . . . . 0.0 112.438 174.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.24 146.15 54.95 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.538 1.161 . . . . 0.0 111.697 171.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.01 -42.44 84.95 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.757 0.823 . . . . 0.0 111.773 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -76.12 -43.81 41.43 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.711 0.804 . . . . 0.0 111.762 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.17 121.56 27.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.229 1.412 . . . . 0.0 112.211 -175.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -78.62 60.95 2.83 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.43 -1.419 . . . . 0.0 114.134 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 m -139.23 151.44 46.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.748 2.019 . . . . 0.0 111.15 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -86.67 18.82 3.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.5 1.92 . . . . 0.0 114.31 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.54 -2.6 6.83 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.447 1.899 . . . . 0.0 115.951 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.8 154.4 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.865 1.666 . . . . 0.0 114.357 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.59 155.85 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.763 1.625 . . . . 0.0 112.55 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.17 107.59 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.842 1.257 . . . . 0.0 109.518 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.46 -10.83 47.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.128 0.971 . . . . 0.0 112.692 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -160.71 131.92 5.61 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.507 1.923 . . . . 0.0 107.616 -171.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.76 16.04 76.24 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 123.4 0.524 . . . . 0.0 114.084 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.51 -42.38 87.42 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 111.973 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.35 161.54 37.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.382 1.873 . . . . 0.0 111.441 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.6 ptm -78.93 153.3 30.54 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.904 0.881 . . . . 0.0 112.516 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -149.11 153.82 38.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.205 1.802 . . . . 0.0 111.926 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.84 148.84 45.88 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.022 161.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -115.12 -58.93 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.45 1.1 . . . . 0.0 112.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.0 t -160.66 175.66 12.41 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.042 1.337 . . . . 0.0 111.376 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 mt -121.51 167.3 13.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.89 135.55 49.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.41 1.884 . . . . 0.0 108.736 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.2 mtt -123.24 138.48 54.62 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.996 1.718 . . . . 0.0 109.667 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 123.55 0.74 . . . . 0.0 112.428 179.628 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.2 -33.9 63.44 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.402 1.881 . . . . 0.0 113.439 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.58 -12.31 10.96 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.981 1.312 . . . . 0.0 113.961 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.4 t -55.68 -48.33 75.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.909 0.884 . . . . 0.0 110.935 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -43.4 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.865 0.866 . . . . 0.0 113.122 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.35 -58.13 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.662 1.985 . . . . 0.0 110.829 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -56.83 -41.44 77.84 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.858 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -60.75 -49.78 76.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.513 1.125 . . . . 0.0 112.128 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.16 -49.57 73.62 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.184 0.994 . . . . 0.0 111.479 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.74 -47.03 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.409 1.083 . . . . 0.0 111.136 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.44 80.0 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.705 1.202 . . . . 0.0 112.617 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.3 mt -58.13 -50.88 71.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.718 1.207 . . . . 0.0 111.567 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.8 m -55.02 -47.5 74.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.66 0.784 . . . . 0.0 112.401 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -57.48 -52.62 64.65 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.093 0.957 . . . . 0.0 111.923 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.31 -47.34 85.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.31 1.044 . . . . 0.0 112.842 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -62.1 -42.0 98.77 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.497 -0.752 . . . . 0.0 111.88 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.62 82.74 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.644 -0.66 . . . . 0.0 112.692 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -32.59 74.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.854 1.206 . . . . 0.0 112.811 174.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -74.68 -38.14 62.49 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.973 0.909 . . . . 0.0 111.334 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -80.82 -1.61 43.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.45 1.5 . . . . 0.0 113.123 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 56.91 24.79 9.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.22 2.208 . . . . 0.0 113.179 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.54 -37.89 49.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.126 1.77 . . . . 0.0 112.423 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.7 m80 52.7 13.61 0.35 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.485 2.314 . . . . 0.0 116.092 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.46 166.3 27.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.807 2.843 . . . . 0.0 109.888 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.0 mm -126.41 141.69 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.351 1.86 . . . . 0.0 108.126 166.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -82.29 -67.08 0.81 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.547 1.139 . . . . 0.0 108.479 168.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -140.39 165.35 27.67 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.375 1.47 . . . . 0.0 113.132 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.33 141.27 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 127.464 2.306 . . . . 0.0 109.75 165.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.93 126.04 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.97 1.708 . . . . 0.0 108.961 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.91 123.97 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.313 1.045 . . . . 0.0 111.958 -167.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.29 118.27 5.04 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.387 1.47 . . . . 0.0 112.175 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -115.93 125.65 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.198 1.399 . . . . 0.0 108.655 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.25 143.57 46.3 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.193 0.425 . . . . 0.0 112.784 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.27 -14.39 60.61 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.454 -1.027 . . . . 0.0 112.815 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -116.45 7.02 13.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.858 2.063 . . . . 0.0 114.052 174.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -69.7 -18.1 63.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 112.71 171.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.89 0.77 0.08 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 129.241 3.017 . . . . 0.0 117.682 171.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 ptp -68.19 154.12 42.36 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.625 1.17 . . . . 0.0 112.326 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -81.16 95.73 6.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.177 0.991 . . . . 0.0 110.877 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -50.62 -38.66 47.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.593 1.557 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 t -62.77 -49.67 74.07 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.971 1.708 . . . . 0.0 112.064 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.71 -47.32 86.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.844 0.858 . . . . 0.0 111.453 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.39 -57.14 11.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.639 1.176 . . . . 0.0 112.724 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.81 -42.7 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -63.09 -33.13 74.78 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.054 0.454 . . . . 0.0 111.754 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.6 71.11 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.385 1.074 . . . . 0.0 110.96 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.59 -53.31 39.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.41 -8.94 57.97 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -82.75 -60.5 2.15 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.546 1.538 . . . . 0.0 111.015 163.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.16 2.06 19.33 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -171.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -28.0 4.76 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.071 1.749 . . . . 0.0 114.117 172.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.16 -18.16 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.147 1.379 . . . . 0.0 114.571 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.99 -25.56 66.37 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.787 172.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -143.97 116.03 8.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.629 1.571 . . . . 0.0 111.754 -171.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.22 -28.34 66.59 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.852 -1.155 . . . . 0.0 113.985 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.02 -25.81 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.114 0.965 . . . . 0.0 112.706 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.4 t -81.67 -26.0 35.09 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.817 2.047 . . . . 0.0 112.979 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -65.34 -10.51 33.56 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.19 -1.94 9.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.081 1.752 . . . . 0.0 113.676 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.68 158.13 31.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.07 1.348 . . . . 0.0 112.972 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.8 mt -131.89 145.07 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.913 1.285 . . . . 0.0 110.044 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tp -116.24 116.94 28.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.822 1.649 . . . . 0.0 111.345 -172.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.38 105.27 15.49 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.572 1.949 . . . . 0.0 112.764 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.17 139.08 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.381 -0.824 . . . . 0.0 111.191 172.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.65 122.67 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 128.246 2.618 . . . . 0.0 109.003 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.65 106.56 6.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.603 1.161 . . . . 0.0 111.064 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -88.58 144.57 26.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.264 1.025 . . . . 0.0 112.521 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 169.13 17.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.649 1.58 . . . . 0.0 112.772 168.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.16 154.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.239 1.815 . . . . 0.0 110.459 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -142.27 134.81 28.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.438 1.095 . . . . 0.0 111.825 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.34 101.72 10.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 128.195 2.598 . . . . 0.0 111.145 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.9 149.33 28.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.404 1.882 . . . . 0.0 112.059 169.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 t -92.72 151.3 20.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.713 1.205 . . . . 0.0 113.1 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -62.25 -72.76 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.199 2.2 . . . . 0.0 114.018 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -113.69 55.44 0.72 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.156 1.783 . . . . 0.0 111.439 -171.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.31 -155.13 0.57 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.651 2.38 . . . . 0.0 110.656 -168.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 26.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.755 1.222 . . . . 0.0 112.797 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -146.77 154.43 41.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.268 1.027 . . . . 0.0 113.471 -166.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.07 148.14 25.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 126.608 1.963 . . . . 0.0 110.763 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -142.72 -174.89 4.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.63 1.572 . . . . 0.0 112.248 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -110.95 142.9 27.19 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.345 1.458 . . . . 0.0 111.445 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.08 123.54 10.44 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.007 2.472 . . . . 0.0 112.679 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.8 m120 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.536 1.534 . . . . 0.0 111.023 174.813 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.281 0 N-CA-C 114.315 0.486 . . . . 0.0 114.315 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.6 m -62.78 165.69 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.407 1.483 . . . . 0.0 112.037 168.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.7 t -61.17 166.26 3.82 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.49 1.516 . . . . 0.0 112.692 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.19 -31.41 17.95 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -93.72 -62.78 1.29 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.954 1.302 . . . . 0.0 111.477 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.3 p -79.37 174.27 11.74 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.871 0.869 . . . . 0.0 110.737 162.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -124.35 46.65 2.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.743 -1.223 . . . . 0.0 113.043 -171.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.2 m -136.9 155.65 49.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.833 1.253 . . . . 0.0 111.618 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -87.7 14.94 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.395 1.878 . . . . 0.0 114.121 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -66.92 -1.49 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.462 1.905 . . . . 0.0 115.81 -172.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -58.52 152.46 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.938 1.295 . . . . 0.0 113.311 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 154.15 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.251 1.821 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mp -75.88 109.31 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.464 1.106 . . . . 0.0 108.629 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.1 t -91.34 -12.46 34.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.576 0.75 . . . . 0.0 112.022 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -160.01 131.72 6.1 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.619 1.968 . . . . 0.0 108.493 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.39 -11.16 39.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.791 1.186 . . . . 0.0 115.341 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -66.82 -33.82 76.46 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.568 1.547 . . . . 0.0 112.352 175.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -138.09 158.09 45.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.369 2.268 . . . . 0.0 110.8 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -78.9 168.62 19.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.377 1.071 . . . . 0.0 113.275 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -154.84 159.43 40.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.374 1.869 . . . . 0.0 112.868 171.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.42 152.72 41.82 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.214 -0.928 . . . . 0.0 110.179 163.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.9 mt -115.55 -55.72 2.41 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.048 1.339 . . . . 0.0 111.699 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 t -159.18 169.83 23.28 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.227 1.011 . . . . 0.0 112.259 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 167.34 14.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.428 1.491 . . . . 0.0 110.823 170.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -132.58 139.69 47.92 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.936 1.694 . . . . 0.0 110.311 170.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.4 mtt -134.96 123.0 22.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.847 2.059 . . . . 0.0 109.542 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 124.89 1.276 . . . . 0.0 112.648 -175.449 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.59 -24.7 61.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.286 1.434 . . . . 0.0 114.332 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.81 -6.54 48.65 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -61.95 -53.84 50.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.851 0.861 . . . . 0.0 111.15 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.83 -41.92 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.291 1.036 . . . . 0.0 112.547 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.28 -61.5 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.472 1.909 . . . . 0.0 111.516 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.7 t -53.77 -42.23 68.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.612 1.165 . . . . 0.0 111.842 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -58.95 -53.96 52.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.374 1.07 . . . . 0.0 112.258 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.64 -53.62 52.3 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.924 0.889 . . . . 0.0 111.588 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.5 mt -55.83 -48.92 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.082 1.353 . . . . 0.0 110.938 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.11 -48.22 82.66 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.02 -53.72 54.48 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.231 1.012 . . . . 0.0 112.128 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -68.08 -32.59 73.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -177.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -58.75 -46.3 87.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.295 0.952 . . . . 0.0 111.346 167.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.58 -44.3 94.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.435 0.694 . . . . 0.0 111.816 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -61.71 -41.82 98.12 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.394 -0.816 . . . . 0.0 112.12 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.83 -48.74 75.57 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.586 -0.696 . . . . 0.0 112.319 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -63.82 -32.24 73.69 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.279 0.945 . . . . 0.0 112.977 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -71.59 -39.92 70.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.566 1.146 . . . . 0.0 111.179 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -82.88 -0.47 48.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.779 1.231 . . . . 0.0 113.245 172.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 57.57 27.57 14.33 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.895 2.078 . . . . 0.0 112.829 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.86 64.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.723 1.209 . . . . 0.0 113.308 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 56.23 2.25 0.08 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.025 2.53 . . . . 0.0 116.509 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -157.65 176.54 12.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.762 2.425 . . . . 0.0 111.294 165.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.33 141.46 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.098 1.759 . . . . 0.0 109.215 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.83 -49.7 7.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 110.353 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -152.1 158.29 42.77 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.059 1.344 . . . . 0.0 114.205 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -124.96 134.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 128.42 2.688 . . . . 0.0 109.216 157.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.38 123.02 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.011 1.724 . . . . 0.0 108.069 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.03 152.92 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.33 1.452 . . . . 0.0 110.573 -171.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -118.68 134.66 11.01 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.636 1.113 . . . . 0.0 111.585 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.0 mt -132.49 123.82 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.704 1.602 . . . . 0.0 108.728 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.18 146.0 50.04 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.213 0.435 . . . . 0.0 112.938 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.21 -11.25 58.97 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.225 -1.162 . . . . 0.0 112.906 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -112.75 3.12 16.32 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.424 1.89 . . . . 0.0 114.37 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 m -69.76 -18.37 63.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.941 0.896 . . . . 0.0 113.22 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.85 16.7 2.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 127.39 2.276 . . . . 0.0 116.097 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.5 mtt -71.27 135.06 47.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.161 1.384 . . . . 0.0 111.089 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -76.96 95.49 4.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.645 0.778 . . . . 0.0 109.949 171.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -56.0 -35.49 66.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -48.65 80.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.445 1.498 . . . . 0.0 111.734 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.85 -49.04 79.09 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.31 1.044 . . . . 0.0 111.705 175.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -58.67 -53.17 61.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.612 0.765 . . . . 0.0 112.955 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.06 -40.14 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.91 1.232 . . . . 0.0 113.1 174.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -63.57 -30.44 71.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.391 0.542 . . . . 0.0 111.852 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.73 70.15 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.932 173.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -55.83 -49.81 72.26 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.528 -0.732 . . . . 0.0 112.369 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.8 -23.59 67.32 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.333 1.453 . . . . 0.0 113.644 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.2 m -74.67 -60.54 2.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.871 1.268 . . . . 0.0 111.088 169.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.22 -8.53 56.86 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -48.6 -30.05 4.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.565 1.546 . . . . 0.0 114.056 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.6 -27.89 59.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.53 2.332 . . . . 0.0 114.21 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.18 -14.67 56.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.361 1.464 . . . . 0.0 113.638 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 m -135.38 169.07 18.05 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.236 1.814 . . . . 0.0 110.917 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -82.82 -48.26 10.98 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.826 -1.171 . . . . 0.0 111.438 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m -66.79 -25.37 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.632 1.573 . . . . 0.0 113.745 -169.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.67 -26.0 59.55 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.897 1.279 . . . . 0.0 113.263 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.08 -21.94 64.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -165.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.77 7.73 10.5 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.4 1.88 . . . . 0.0 113.857 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.08 164.86 21.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.577 1.151 . . . . 0.0 112.715 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.8 mm -125.86 139.59 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.955 1.702 . . . . 0.0 109.673 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.84 108.27 16.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.125 1.37 . . . . 0.0 111.003 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.37 115.15 29.97 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.835 1.654 . . . . 0.0 112.59 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.5 mt -104.68 101.24 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.982 1.713 . . . . 0.0 111.487 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -74.67 122.46 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 111.432 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.28 103.44 2.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.06 1.344 . . . . 0.0 110.818 168.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -99.51 144.95 28.01 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.972 1.709 . . . . 0.0 111.943 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -74.7 169.86 16.99 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.955 -1.091 . . . . 0.0 113.155 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 m -123.06 158.27 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.095 1.358 . . . . 0.0 112.935 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -154.58 143.51 20.96 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.4 1.08 . . . . 0.0 111.3 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.32 103.5 10.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.776 2.03 . . . . 0.0 110.506 -174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -81.39 152.37 27.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.94 0.896 . . . . 0.0 112.788 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.1 t -78.67 155.04 29.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.655 0.782 . . . . 0.0 111.443 165.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -62.9 -63.0 1.34 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.362 1.865 . . . . 0.0 114.424 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.66 58.13 1.58 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.706 1.602 . . . . 0.0 111.172 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.17 -155.59 0.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.771 2.028 . . . . 0.0 111.337 -163.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -146.78 25.7 1.16 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.79 1.236 . . . . 0.0 112.946 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -140.46 149.66 42.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.851 1.261 . . . . 0.0 112.707 -172.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.34 152.29 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 126.57 1.948 . . . . 0.0 110.544 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.97 -178.59 6.01 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.828 1.251 . . . . 0.0 112.969 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -99.55 141.4 22.75 Favored Pre-proline 0 N--CA 1.48 1.056 0 C-N-CA 125.311 1.444 . . . . 0.0 112.195 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.98 120.88 7.37 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.978 2.452 . . . . 0.0 111.729 -174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 124.863 1.265 . . . . 0.0 112.01 -179.536 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 N-CA-C 114.715 0.646 . . . . 0.0 114.715 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 m -64.79 156.38 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.89 1.676 . . . . 0.0 112.679 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.4 t -69.24 148.82 49.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.318 1.447 . . . . 0.0 111.892 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -69.8 -33.4 72.3 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.526 -0.734 . . . . 0.0 112.513 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -81.97 -56.62 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.691 1.196 . . . . 0.0 112.372 173.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -112.91 128.49 56.48 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.381 1.472 . . . . 0.0 111.435 -173.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -80.14 56.29 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.434 -1.416 . . . . 0.0 113.578 -168.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.8 m -136.25 149.43 48.51 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.087 2.155 . . . . 0.0 109.914 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -105.91 26.0 10.2 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.584 1.553 . . . . 0.0 113.291 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.83 1.1 2.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.684 2.794 . . . . 0.0 115.726 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.71 149.67 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 114.004 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.95 154.2 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.738 1.615 . . . . 0.0 112.14 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.9 mt -78.27 108.11 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.207 1.003 . . . . 0.0 108.937 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -86.85 -9.53 55.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.591 1.157 . . . . 0.0 112.677 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -157.66 126.5 5.72 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.035 2.134 . . . . 0.0 107.83 -169.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.14 18.08 78.87 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.72 -38.32 81.33 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.368 1.467 . . . . 0.0 111.788 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.4 166.77 27.11 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.716 1.606 . . . . 0.0 112.365 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.63 150.74 45.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.185 1.394 . . . . 0.0 112.583 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -154.9 154.88 33.34 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.697 1.599 . . . . 0.0 112.01 172.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.8 pp -63.9 152.42 39.85 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 122.111 -0.368 . . . . 0.0 111.133 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.8 mt -113.99 -57.8 2.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.718 1.207 . . . . 0.0 110.478 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.9 m -151.72 164.2 37.49 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.926 1.69 . . . . 0.0 111.46 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.4 mt -115.99 170.3 8.59 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.978 0.911 . . . . 0.0 110.628 161.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -140.54 122.21 15.28 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.35 1.86 . . . . 0.0 108.316 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 18.8 ptp -135.13 111.59 9.83 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.155 -0.966 . . . . 0.0 110.998 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 124.985 1.314 . . . . 0.0 112.319 -175.653 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.371 0.129 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.47 -33.51 74.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -85.54 -3.67 58.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.58 1.152 . . . . 0.0 114.052 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.0 m -62.36 -33.74 75.33 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 t -68.19 -52.23 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.151 0.887 . . . . 0.0 110.173 167.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.59 -62.61 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.805 1.642 . . . . 0.0 111.149 -167.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m -59.37 -35.0 73.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.069 1.348 . . . . 0.0 112.86 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 t -63.28 -43.28 98.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.229 0.612 . . . . 0.0 111.536 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.24 -41.58 97.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.759 0.824 . . . . 0.0 112.906 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.91 -50.84 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 118.52 0.6 . . . . 0.0 110.527 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.84 89.42 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.017 0.927 . . . . 0.0 112.738 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.74 -49.96 75.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.458 1.503 . . . . 0.0 111.376 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.65 -40.09 95.97 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -58.0 -45.94 86.02 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.292 -0.88 . . . . 0.0 111.457 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.11 -47.92 82.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.267 1.427 . . . . 0.0 111.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.06 -33.35 75.56 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.906 -1.121 . . . . 0.0 112.827 177.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.75 64.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -176.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -79.72 -31.6 41.15 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.384 0.993 . . . . 0.0 113.054 167.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -73.72 -44.36 56.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.35 1.06 . . . . 0.0 111.323 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -84.18 -5.18 59.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.692 1.597 . . . . 0.0 113.091 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 55.22 30.71 15.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 112.685 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.1 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.956 1.702 . . . . 0.0 112.613 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.2 m170 53.57 3.52 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 128.482 2.713 . . . . 0.0 117.295 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -144.87 166.21 25.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.289 2.636 . . . . 0.0 110.119 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 mm -115.28 156.85 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.689 1.595 . . . . 0.0 110.518 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -114.76 -49.41 2.81 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.354 1.461 . . . . 0.0 110.813 164.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -149.61 162.89 39.31 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.28 147.09 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.648 1.579 . . . . 0.0 109.874 155.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -126.38 108.39 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.191 1.797 . . . . 0.0 108.714 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.2 p -97.97 141.57 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.148 0.979 . . . . 0.0 111.729 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.6 120.41 6.71 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.558 2.028 . . . . 0.0 111.053 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -126.46 127.1 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.17 144.23 48.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.46 0.552 . . . . 0.0 112.384 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -78.47 -3.34 42.98 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.105 -1.233 . . . . 0.0 112.849 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -113.21 -5.72 13.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.267 2.627 . . . . 0.0 113.554 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -72.25 -14.47 61.78 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.31 -1.54 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.208 2.603 . . . . 0.0 117.19 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.84 112.76 5.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.536 1.534 . . . . 0.0 110.462 171.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -62.21 108.52 1.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.546 1.138 . . . . 0.0 112.717 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -53.03 -36.02 60.09 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.496 1.518 . . . . 0.0 114.14 173.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -66.01 -42.76 89.28 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.519 1.127 . . . . 0.0 111.306 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.22 -53.02 62.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.094 0.958 . . . . 0.0 110.352 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -54.54 -54.97 34.07 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.95 -42.48 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.587 -0.696 . . . . 0.0 112.682 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -61.15 -34.11 74.49 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.64 75.26 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.72 0.808 . . . . 0.0 111.818 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -58.4 -44.98 89.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.219 1.007 . . . . 0.0 112.356 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.47 -25.07 68.09 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.272 1.429 . . . . 0.0 113.615 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.5 m -74.61 -59.58 2.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.839 0.856 . . . . 0.0 111.129 164.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -14.1 62.41 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -168.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -53.15 -23.9 9.31 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.658 1.583 . . . . 0.0 114.956 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.23 -23.66 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.914 1.685 . . . . 0.0 113.738 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.1 -25.6 66.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.013 0.925 . . . . 0.0 112.917 172.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -85.24 177.46 7.84 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.659 1.584 . . . . 0.0 112.623 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.37 -42.37 6.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.497 1.119 . . . . 0.0 111.384 154.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -77.79 -33.32 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.112 1.365 . . . . 0.0 112.191 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -76.87 -15.53 59.67 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.566 0.746 . . . . 0.0 112.526 -169.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.28 88.56 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.772 0.715 . . . . 0.0 112.564 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -95.64 73.99 3.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.009 1.324 . . . . 0.0 110.298 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.98 165.74 26.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.801 1.64 . . . . 0.0 112.098 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mm -135.74 142.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.301 1.841 . . . . 0.0 108.684 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tp -115.58 107.9 15.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.477 1.911 . . . . 0.0 109.646 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -91.67 144.88 25.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.915 1.286 . . . . 0.0 111.884 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.9 mm -104.78 142.45 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.275 1.43 . . . . 0.0 110.758 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.97 120.87 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.791 2.036 . . . . 0.0 109.592 171.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.33 100.0 3.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.762 1.225 . . . . 0.0 110.67 172.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.99 142.27 49.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.677 0.791 . . . . 0.0 111.597 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -63.45 156.96 24.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.296 0.638 . . . . 0.0 110.727 166.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.39 154.96 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.86 143.78 26.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.507 1.123 . . . . 0.0 110.132 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.66 111.37 17.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.189 1.796 . . . . 0.0 111.645 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.3 155.03 28.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.042 0.937 . . . . 0.0 112.795 166.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.1 t -80.49 158.6 25.81 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.877 0.871 . . . . 0.0 111.657 165.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -64.13 -65.32 0.69 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.659 1.983 . . . . 0.0 114.103 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -127.11 59.58 1.41 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.743 1.617 . . . . 0.0 111.019 -168.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.86 -157.91 0.83 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.046 2.139 . . . . 0.0 111.313 -164.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t -147.48 33.35 0.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.613 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -145.85 150.42 36.12 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.443 1.097 . . . . 0.0 113.066 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.62 150.42 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 126.469 1.908 . . . . 0.0 110.967 172.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.32 175.05 11.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.328 1.451 . . . . 0.0 112.482 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 143.54 26.8 Favored Pre-proline 0 N--CA 1.48 1.029 0 C-N-CA 124.537 1.135 . . . . 0.0 112.748 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.88 118.61 5.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.921 3.081 . . . . 0.0 112.223 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.192 1.397 . . . . 0.0 112.411 178.406 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.639 0 N-CA-C 115.512 0.965 . . . . 0.0 115.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.79 158.42 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.512 1.156 . . . . 0.0 112.519 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.75 147.61 53.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.33 1.052 . . . . 0.0 111.559 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.02 -43.7 86.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.778 0.831 . . . . 0.0 111.913 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -73.56 -56.17 5.37 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 p -114.36 124.12 51.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 111.82 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -79.21 60.1 2.96 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.366 -1.459 . . . . 0.0 113.588 -168.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.7 m -136.86 153.82 50.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.109 2.164 . . . . 0.0 110.773 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -97.45 14.06 27.66 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.711 1.604 . . . . 0.0 113.68 -172.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.18 -2.52 5.87 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.675 2.39 . . . . 0.0 116.353 -172.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.51 151.32 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.896 1.678 . . . . 0.0 113.92 -174.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.21 153.54 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.584 1.554 . . . . 0.0 112.453 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.73 115.85 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.143 1.377 . . . . 0.0 108.522 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -97.39 -8.11 30.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.968 1.307 . . . . 0.0 112.663 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.14 127.11 6.27 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.38 1.872 . . . . 0.0 108.891 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.77 18.21 77.59 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.433 1.016 . . . . 0.0 114.571 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.574 1.55 . . . . 0.0 112.783 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.96 156.83 45.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.317 1.847 . . . . 0.0 111.263 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.0 ptm -79.84 150.05 30.8 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.494 0.718 . . . . 0.0 112.352 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 mtp-105 -150.43 165.74 32.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.575 1.95 . . . . 0.0 110.487 171.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.62 158.64 9.69 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.295 -0.878 . . . . 0.0 112.729 162.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.91 -53.66 2.27 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.865 1.666 . . . . 0.0 111.265 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.4 p -149.47 162.44 40.13 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.991 1.316 . . . . 0.0 111.949 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.18 157.16 46.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.945 1.298 . . . . 0.0 110.116 175.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -139.72 144.75 37.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 111.62 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -125.86 168.22 14.15 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.091 1.756 . . . . 0.0 111.177 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.968 1.307 . . . . 0.0 113.008 179.512 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.52 -27.89 67.97 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -75.98 -2.99 33.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -58.94 -61.18 2.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -55.49 -42.39 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.161 0.985 . . . . 0.0 112.434 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.9 t -57.51 -66.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 127.999 2.519 . . . . 0.0 111.746 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.6 t -52.39 -44.74 65.5 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.832 1.253 . . . . 0.0 112.162 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 m -59.77 -48.35 82.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.455 0.702 . . . . 0.0 112.812 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.86 -51.77 68.6 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.023 0.829 . . . . 0.0 112.738 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.56 -45.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.78 0.832 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.6 56.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.797 . . . . 0.0 112.419 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.87 -52.36 64.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.113 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.34 -35.52 80.57 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -58.0 -48.36 80.27 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.338 0.972 . . . . 0.0 111.38 168.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -65.47 -41.98 92.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.054 0.942 . . . . 0.0 112.296 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.28 -42.93 99.15 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.393 -0.817 . . . . 0.0 111.677 173.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.76 75.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.637 0.653 . . . . 0.0 112.177 -176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -63.56 -34.23 77.35 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.01 -40.93 62.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.606 1.162 . . . . 0.0 111.318 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.54 -5.14 51.89 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.756 1.622 . . . . 0.0 113.152 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.2 31.36 18.22 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.801 2.041 . . . . 0.0 112.256 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -42.93 67.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.021 1.329 . . . . 0.0 112.307 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 48.42 26.82 1.23 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.473 1.909 . . . . 0.0 114.503 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -160.66 159.46 30.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 127.016 2.127 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.9 mt -134.99 142.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.377 1.871 . . . . 0.0 108.392 168.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -94.26 -65.32 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.073 1.349 . . . . 0.0 109.225 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -139.71 162.69 34.51 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.961 1.304 . . . . 0.0 113.432 172.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.42 127.68 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.931 1.693 . . . . 0.0 110.028 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 t -99.49 121.74 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.384 1.473 . . . . 0.0 110.393 -167.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 t -132.01 123.52 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.355 1.062 . . . . 0.0 111.329 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.34 120.56 5.91 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 126.229 1.871 . . . . 0.0 112.463 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mt -116.4 125.47 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.978 1.711 . . . . 0.0 108.526 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.39 141.22 46.87 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.704 0.668 . . . . 0.0 112.928 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.42 -15.6 63.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.323 -1.104 . . . . 0.0 113.269 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -106.28 2.28 26.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 114.13 173.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.0 t -63.46 -37.91 89.12 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.51 1.124 . . . . 0.0 112.45 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.06 10.36 0.59 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.341 2.257 . . . . 0.0 115.732 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.93 144.26 57.4 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.176 -0.952 . . . . 0.0 111.59 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.08 93.09 2.23 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.902 1.281 . . . . 0.0 111.528 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -53.11 -28.53 25.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.37 1.868 . . . . 0.0 114.616 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -57.8 -39.55 77.79 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.308 1.843 . . . . 0.0 112.854 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.67 -46.88 71.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.724 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -58.39 -52.83 63.98 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.271 0.357 . . . . 0.0 111.495 -172.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -44.09 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -63.89 -34.15 77.31 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.773 0.32 . . . . 0.0 111.45 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.97 62.01 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.177 -0.952 . . . . 0.0 111.721 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.25 -54.98 24.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.742 1.217 . . . . 0.0 111.18 171.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -27.3 60.99 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.9 m -56.07 -41.82 75.71 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.075 1.307 . . . . 0.0 112.168 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.24 17.06 4.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.162 . . . . 0.0 113.763 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -31.96 16.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.866 1.212 . . . . 0.0 113.391 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.85 -18.69 60.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.107 1.763 . . . . 0.0 114.218 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.26 -21.02 63.02 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.715 1.206 . . . . 0.0 113.655 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -146.0 128.77 16.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.954 1.301 . . . . 0.0 111.877 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.47 -32.29 68.62 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.15 -22.7 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.5 t -74.7 -24.16 58.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.004 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -60.14 -14.71 18.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.345 1.458 . . . . 0.0 114.772 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -111.48 -7.27 14.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.168 1.387 . . . . 0.0 113.959 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.03 148.29 46.0 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.024 0.93 . . . . 0.0 112.633 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.4 mt -130.84 150.09 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.16 1.784 . . . . 0.0 108.882 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 tp -85.83 139.76 31.0 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.219 -0.926 . . . . 0.0 111.539 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -116.83 88.77 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.258 1.423 . . . . 0.0 110.361 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.9 mt -71.81 117.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.767 1.627 . . . . 0.0 110.076 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.1 t -106.62 124.61 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.976 1.71 . . . . 0.0 110.084 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -71.69 93.46 1.27 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.389 1.476 . . . . 0.0 111.302 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -75.19 138.84 42.24 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.891 1.276 . . . . 0.0 111.788 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.75 161.92 19.76 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.673 -0.642 . . . . 0.0 111.051 168.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.07 152.77 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.929 1.291 . . . . 0.0 111.822 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -151.59 144.46 24.44 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.32 97.02 5.22 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.1 2.16 . . . . 0.0 111.583 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.87 154.11 42.6 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.352 1.461 . . . . 0.0 112.021 165.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 6.1 t -79.92 163.09 24.59 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.685 0.755 . . . . 0.0 111.573 161.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.99 -69.38 0.31 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.218 1.807 . . . . 0.0 114.355 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.63 58.88 1.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.696 1.598 . . . . 0.0 110.977 -167.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.8 OUTLIER -140.88 -155.4 0.58 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.483 1.913 . . . . 0.0 111.85 -160.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -152.49 61.65 0.81 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.525 1.13 . . . . 0.0 110.387 163.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -152.93 154.51 35.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.297 1.039 . . . . 0.0 113.134 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.69 140.27 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 127.302 2.241 . . . . 0.0 110.705 171.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -173.25 3.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.17 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -93.59 153.06 41.29 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.399 1.08 . . . . 0.0 111.325 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.46 -175.64 2.79 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.31 2.673 . . . . 0.0 112.334 174.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 N--CA 1.469 0.512 0 C-N-CA 127.451 2.3 . . . . 0.0 113.181 -177.242 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.48 0 CA-C-O 120.72 0.067 . . . . 0.0 113.05 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.7 m -75.12 162.87 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.656 1.582 . . . . 0.0 112.505 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.52 135.14 57.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.2 1.0 . . . . 0.0 109.564 165.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.18 -25.03 65.05 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.347 -0.846 . . . . 0.0 113.082 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -85.66 -56.97 3.24 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.626 1.17 . . . . 0.0 112.274 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.9 p -113.08 114.16 26.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.318 1.447 . . . . 0.0 111.419 -176.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -76.56 68.41 2.85 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -162.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.0 m -140.61 155.2 46.62 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.599 2.359 . . . . 0.0 110.196 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -92.3 19.87 6.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.19 1.396 . . . . 0.0 113.515 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.08 -3.1 11.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.796 2.038 . . . . 0.0 115.708 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -52.35 144.92 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.288 1.435 . . . . 0.0 113.267 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.69 149.79 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.498 1.519 . . . . 0.0 112.713 -178.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.81 103.13 5.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.164 1.385 . . . . 0.0 108.071 -173.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.3 t -88.76 -9.14 52.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.585 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -151.98 117.62 5.39 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.678 1.991 . . . . 0.0 108.163 -168.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.84 78.1 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 115.95 1.14 . . . . 0.0 115.95 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.91 -34.64 76.43 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.932 1.366 . . . . 0.0 112.379 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -134.76 157.37 46.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.664 1.986 . . . . 0.0 109.937 169.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.4 ptm -75.03 151.71 38.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 112.446 171.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -150.32 157.62 43.26 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.685 1.594 . . . . 0.0 111.828 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.85 156.86 8.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.799 165.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.28 -50.58 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.706 1.603 . . . . 0.0 112.052 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 t -160.3 179.24 8.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.607 1.563 . . . . 0.0 111.337 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.73 165.25 27.77 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.408 1.483 . . . . 0.0 110.7 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.62 122.34 25.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.49 1.516 . . . . 0.0 109.633 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 77.9 mtm -126.2 100.52 6.35 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.875 1.67 . . . . 0.0 110.111 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.146 1.778 . . . . 0.0 112.812 -178.397 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 t60 . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.06 -27.72 61.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.259 1.824 . . . . 0.0 113.778 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.92 -14.26 14.6 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.941 1.297 . . . . 0.0 113.702 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -58.09 -51.23 70.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.332 1.053 . . . . 0.0 111.148 170.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -54.57 -47.49 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.032 0.933 . . . . 0.0 112.153 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.84 -62.34 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 127.026 2.131 . . . . 0.0 111.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -57.96 -39.0 77.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.967 1.307 . . . . 0.0 112.236 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 t -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.795 0.838 . . . . 0.0 111.6 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.76 -46.75 88.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.945 0.898 . . . . 0.0 112.768 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.91 -50.49 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.026 1.33 . . . . 0.0 111.544 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.14 83.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.145 0.978 . . . . 0.0 112.933 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -59.81 -50.44 73.78 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.966 1.306 . . . . 0.0 111.964 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 t -63.46 -40.08 96.17 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.544 0.611 . . . . 0.0 112.472 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -55.35 -52.56 63.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.992 0.917 . . . . 0.0 112.491 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.88 -45.53 89.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.761 0.824 . . . . 0.0 112.803 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -61.14 -43.2 99.25 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.386 -0.821 . . . . 0.0 111.766 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.29 73.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.726 -0.609 . . . . 0.0 112.37 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -64.29 -31.94 73.34 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.228 0.922 . . . . 0.0 113.125 175.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -72.95 -37.85 66.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.293 1.037 . . . . 0.0 111.173 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.08 -1.47 44.36 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.84 1.656 . . . . 0.0 113.134 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 57.04 25.19 10.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.341 2.256 . . . . 0.0 113.232 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.08 48.98 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.709 1.604 . . . . 0.0 112.778 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.2 m80 54.93 6.39 0.13 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 127.887 2.475 . . . . 0.0 117.139 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -145.8 166.24 26.5 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 128.271 2.628 . . . . 0.0 110.068 162.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.7 mt -107.48 155.89 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.961 1.704 . . . . 0.0 108.346 170.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -95.36 -60.43 1.67 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.862 -1.149 . . . . 0.0 109.403 159.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -152.34 162.31 41.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 112.846 174.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.16 153.05 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 126.463 1.905 . . . . 0.0 108.884 163.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.3 t -128.67 123.55 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.897 1.279 . . . . 0.0 109.046 -174.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 p -113.38 149.55 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.678 1.191 . . . . 0.0 111.202 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.69 99.18 0.84 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 126.471 1.986 . . . . 0.0 109.784 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mt -95.64 127.18 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.295 1.038 . . . . 0.0 109.371 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.48 136.62 44.83 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 122.326 0.959 . . . . 0.0 113.232 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -60.44 -23.65 64.58 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.183 2.193 . . . . 0.0 114.398 174.757 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -112.19 2.13 16.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.116 1.766 . . . . 0.0 113.738 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.5 m -65.51 -28.52 69.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.238 1.015 . . . . 0.0 113.276 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.87 7.05 0.25 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.713 2.405 . . . . 0.0 116.49 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.9 mtm -71.65 130.12 40.38 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.308 . . . . 0.0 110.678 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -65.26 102.27 0.64 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.698 1.199 . . . . 0.0 111.91 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -55.2 -35.85 65.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.539 1.135 . . . . 0.0 113.529 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -62.25 -44.13 97.25 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.7 1.6 . . . . 0.0 111.613 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -54.12 49.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.154 0.982 . . . . 0.0 110.262 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -55.05 -52.62 62.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.65 0.78 . . . . 0.0 113.103 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.39 -40.68 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.095 -1.003 . . . . 0.0 113.447 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -62.63 -33.68 75.51 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.886 0.312 . . . . 0.0 111.563 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.73 68.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.963 0.905 . . . . 0.0 111.695 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.81 -45.69 70.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.731 0.812 . . . . 0.0 112.501 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.78 -53.24 60.29 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.46 1.104 . . . . 0.0 112.027 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.3 m -50.56 -45.55 57.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.285 1.034 . . . . 0.0 112.16 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -87.63 18.93 3.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.13 -29.41 9.03 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.573 1.078 . . . . 0.0 113.904 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.56 -15.15 57.38 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.131 2.172 . . . . 0.0 114.716 -178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.32 -14.02 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.283 -0.886 . . . . 0.0 113.153 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -130.92 174.73 9.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.935 2.494 . . . . 0.0 109.644 168.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tp -99.91 -34.14 10.24 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.906 -1.121 . . . . 0.0 113.039 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.05 -21.82 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.89 0.876 . . . . 0.0 112.739 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.3 m -75.6 -12.19 60.16 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.502 1.121 . . . . 0.0 112.704 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.51 66.56 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.4 84.23 2.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.043 1.737 . . . . 0.0 109.937 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.48 166.36 30.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 112.686 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.9 mt -131.48 147.85 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 127.316 2.247 . . . . 0.0 108.02 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tp -122.44 102.02 7.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.72 1.208 . . . . 0.0 110.109 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.52 133.57 34.45 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.355 1.862 . . . . 0.0 112.095 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.3 105.03 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.756 1.222 . . . . 0.0 111.026 -172.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.1 t -80.23 122.83 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.037 1.335 . . . . 0.0 109.825 167.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.44 109.16 5.94 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 110.478 163.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.9 174.83 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.88 143.98 48.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.591 1.956 . . . . 0.0 110.617 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.23 156.75 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.356 1.062 . . . . 0.0 113.431 -172.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -158.01 136.02 10.75 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.151 1.38 . . . . 0.0 111.602 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -124.0 109.26 13.32 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.073 1.749 . . . . 0.0 110.8 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.95 150.73 27.54 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.946 0.898 . . . . 0.0 112.673 172.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.6 t -78.83 156.69 28.6 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 121.907 0.86 . . . . 0.0 111.416 167.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -62.39 -65.9 0.62 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.777 2.031 . . . . 0.0 114.791 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.52 60.2 1.58 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.462 1.505 . . . . 0.0 111.013 -170.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 3.1 t -136.21 -150.77 0.38 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.614 1.966 . . . . 0.0 111.736 -161.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 t -146.1 17.75 1.39 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.99 1.316 . . . . 0.0 113.123 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -140.09 150.81 44.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.475 1.11 . . . . 0.0 113.659 -166.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.52 149.73 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.955 2.102 . . . . 0.0 110.514 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -145.82 176.91 9.31 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -104.87 121.41 46.82 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 126.141 1.776 . . . . 0.0 111.12 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -62.68 110.96 1.21 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.46 3.44 . . . . 0.0 112.472 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 125.823 1.649 . . . . 0.0 111.379 -179.423 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.647 0 N-CA-C 116.234 1.254 . . . . 0.0 116.234 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 m -62.55 173.69 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.501 1.92 . . . . 0.0 112.327 168.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.82 158.15 6.71 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.819 0.818 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.0 -41.8 63.92 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.416 -0.802 . . . . 0.0 110.831 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -84.55 -60.02 2.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.586 1.154 . . . . 0.0 112.541 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -72.14 179.06 3.48 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.448 1.499 . . . . 0.0 110.65 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -124.12 34.2 5.1 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.904 -1.122 . . . . 0.0 112.801 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m -131.45 156.21 46.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.817 1.247 . . . . 0.0 111.346 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -90.89 30.19 1.24 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.183 1.793 . . . . 0.0 112.182 174.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.23 -7.28 29.09 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.317 1.847 . . . . 0.0 114.628 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.84 154.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.976 1.71 . . . . 0.0 113.619 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.24 153.7 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.727 1.611 . . . . 0.0 111.623 173.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 mp -69.36 119.93 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 125.071 1.348 . . . . 0.0 108.096 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -102.81 -11.71 18.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.007 0.923 . . . . 0.0 111.411 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -159.42 132.6 7.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.371 1.868 . . . . 0.0 108.856 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.35 -14.43 39.54 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.374 0.988 . . . . 0.0 114.569 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.82 -47.5 71.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.446 1.898 . . . . 0.0 112.803 171.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -132.85 156.02 47.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.079 1.351 . . . . 0.0 112.494 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.5 ptm -77.52 157.17 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.055 1.342 . . . . 0.0 113.055 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -145.11 159.49 42.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.353 1.861 . . . . 0.0 110.852 167.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.91 150.93 47.83 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.823 -0.548 . . . . 0.0 110.649 160.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.54 -41.44 2.7 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.513 1.525 . . . . 0.0 112.487 -174.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.8 m -162.89 167.57 22.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 110.953 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 mt -132.27 158.77 40.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.243 1.417 . . . . 0.0 109.254 165.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -140.69 145.61 36.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.343 1.057 . . . . 0.0 111.663 172.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.3 mtt -124.87 166.69 15.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.771 2.029 . . . . 0.0 110.992 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.684 1.194 . . . . 0.0 112.989 -176.32 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.4 t60 . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.81 -16.82 53.07 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.32 -3.19 14.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.524 1.53 . . . . 0.0 113.664 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -61.06 -57.28 13.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.888 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -56.62 -41.89 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.086 0.955 . . . . 0.0 112.333 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.1 -65.15 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -57.47 -39.03 75.49 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.334 1.054 . . . . 0.0 112.3 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -59.14 -47.47 85.18 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.077 0.951 . . . . 0.0 111.688 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.38 -51.72 65.88 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.008 0.923 . . . . 0.0 112.14 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.4 mm -54.96 -46.91 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.107 0.867 . . . . 0.0 111.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.96 77.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.805 0.842 . . . . 0.0 112.942 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.55 -47.52 85.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.398 1.079 . . . . 0.0 111.962 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -48.84 -57.36 6.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.707 1.603 . . . . 0.0 111.962 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -54.8 -50.81 67.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.361 1.064 . . . . 0.0 111.985 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.74 -44.28 93.85 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.238 1.015 . . . . 0.0 112.827 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.55 -43.77 96.86 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.238 -0.914 . . . . 0.0 111.577 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.79 84.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.633 0.651 . . . . 0.0 112.623 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -65.85 -32.91 74.7 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.53 1.059 . . . . 0.0 113.161 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -41.81 65.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.536 1.134 . . . . 0.0 110.971 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -79.7 -2.96 45.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.87 1.668 . . . . 0.0 113.149 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 54.7 28.59 10.32 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.097 2.159 . . . . 0.0 112.733 -176.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.41 -39.82 45.72 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.791 1.637 . . . . 0.0 112.39 -175.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.9 m80 54.25 11.64 0.41 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.529 2.332 . . . . 0.0 116.271 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -146.12 159.61 43.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.016 2.527 . . . . 0.0 110.309 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.9 mt -139.88 133.54 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 108.969 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.84 -57.22 3.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.749 1.22 . . . . 0.0 110.386 174.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -156.62 167.36 30.7 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.31 121.67 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.317 2.247 . . . . 0.0 110.965 170.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 t -82.53 127.62 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.027 1.731 . . . . 0.0 109.468 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.31 119.47 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.588 1.155 . . . . 0.0 111.605 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.74 122.94 6.06 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.143 1.354 . . . . 0.0 112.565 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -118.52 125.22 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.82 1.648 . . . . 0.0 109.329 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.21 140.0 46.31 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.086 0.851 . . . . 0.0 113.304 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.57 -14.45 62.95 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.412 -1.052 . . . . 0.0 113.188 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -114.85 11.58 16.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.039 2.136 . . . . 0.0 114.134 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 p -64.5 -22.44 66.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.9 13.32 1.44 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.596 2.359 . . . . 0.0 115.052 -171.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.8 mtt -75.31 144.95 42.18 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.101 -0.999 . . . . 0.0 111.417 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -77.26 90.24 3.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.096 0.958 . . . . 0.0 110.743 172.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -52.18 -38.6 58.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.106 1.362 . . . . 0.0 113.445 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.8 t -63.17 -48.42 78.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.322 1.849 . . . . 0.0 112.066 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.98 -47.17 86.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.018 0.927 . . . . 0.0 110.942 173.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.98 -54.83 40.01 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.377 0.671 . . . . 0.0 112.195 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.59 -46.0 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 p -64.93 -29.12 70.04 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.92 54.52 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.808 1.243 . . . . 0.0 111.153 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.65 -58.19 5.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.52 0.728 . . . . 0.0 111.098 171.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.23 -21.25 66.29 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -73.18 -57.07 4.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.717 1.607 . . . . 0.0 110.997 168.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.77 -9.91 53.58 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -46.79 -37.96 9.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.476 1.489 . . . . 0.0 112.441 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.3 -9.16 22.01 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -174.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -22.05 64.06 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.713 0.805 . . . . 0.0 112.481 165.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.7 m -141.27 130.69 23.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.966 1.706 . . . . 0.0 112.603 -173.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.16 -44.92 96.55 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.472 -1.393 . . . . 0.0 112.806 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 m -69.06 -23.14 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.547 1.139 . . . . 0.0 112.894 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -78.18 -23.89 47.44 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 125.843 1.657 . . . . 0.0 112.989 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.24 -17.59 64.83 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.1 -15.14 44.92 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.816 1.247 . . . . 0.0 113.858 170.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 155.9 33.91 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -170.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.7 mt -126.49 149.77 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 127.661 2.384 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.96 126.61 38.13 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.851 . . . . 0.0 110.455 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 86.01 2.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.063 1.345 . . . . 0.0 110.555 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.45 133.97 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 110.274 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.2 t -122.23 125.49 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.544 1.938 . . . . 0.0 110.002 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -72.37 102.59 3.19 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.976 1.31 . . . . 0.0 111.523 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.4 121.69 27.91 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.486 1.114 . . . . 0.0 111.356 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -59.94 137.24 58.12 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.266 1.026 . . . . 0.0 110.788 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.17 159.38 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.921 0.889 . . . . 0.0 111.649 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -151.7 135.86 16.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.133 0.973 . . . . 0.0 112.39 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.89 95.71 5.04 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 127.907 2.483 . . . . 0.0 110.901 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.69 161.99 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 129.309 3.044 . . . . 0.0 112.342 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.4 t -101.64 158.06 16.37 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.299 1.44 . . . . 0.0 112.471 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -61.25 -61.9 2.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.65 1.58 . . . . 0.0 114.851 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -132.56 60.92 1.68 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.25 -156.5 0.69 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.438 1.895 . . . . 0.0 111.879 -163.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p -145.77 12.8 1.31 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -132.82 140.22 47.87 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.292 1.037 . . . . 0.0 113.618 -176.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.38 138.97 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 127.902 2.481 . . . . 0.0 110.007 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.31 -174.5 3.71 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.497 1.519 . . . . 0.0 112.995 -174.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 145.53 30.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.604 1.162 . . . . 0.0 110.701 165.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.79 153.63 43.04 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.152 2.568 . . . . 0.0 112.399 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 127.643 2.377 . . . . 0.0 109.257 176.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.657 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -67.27 151.37 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.468 1.507 . . . . 0.0 112.48 170.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.26 137.23 57.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.853 0.861 . . . . 0.0 109.991 164.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -19.86 54.52 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -79.63 -55.43 5.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.274 1.03 . . . . 0.0 111.527 167.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -119.57 106.61 12.36 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.49 1.516 . . . . 0.0 111.34 -174.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -72.66 69.42 0.89 Allowed 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -163.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -143.39 151.57 40.56 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.231 2.612 . . . . 0.0 110.016 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -86.29 17.02 3.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 113.749 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.69 -4.98 21.97 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.3 1.84 . . . . 0.0 115.682 -174.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.4 m -52.11 146.44 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.529 1.532 . . . . 0.0 113.587 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.56 152.22 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.13 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.19 105.1 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.548 1.139 . . . . 0.0 108.22 -176.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 t -88.72 -12.3 42.68 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.908 0.883 . . . . 0.0 112.623 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -155.68 125.61 6.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.784 2.034 . . . . 0.0 107.607 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.03 7.02 81.27 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 123.909 0.766 . . . . 0.0 114.87 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.22 -49.22 70.51 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.711 1.604 . . . . 0.0 111.463 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.77 164.38 26.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.763 2.025 . . . . 0.0 110.827 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 ptm -87.56 155.68 19.86 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.11 0.964 . . . . 0.0 112.9 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -148.26 149.85 32.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.335 1.454 . . . . 0.0 111.819 172.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.09 151.23 47.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 165.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -113.97 -61.53 1.73 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.119 1.768 . . . . 0.0 111.041 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -150.21 167.14 27.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.942 1.697 . . . . 0.0 111.559 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -128.63 164.77 22.16 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.418 1.087 . . . . 0.0 111.165 168.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -131.43 140.33 49.6 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.929 1.692 . . . . 0.0 110.527 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 63.3 mtt -132.19 120.15 21.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.268 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.46 1.504 . . . . 0.0 109.606 175.042 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.34 -42.84 92.44 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.821 -1.174 . . . . 0.0 112.501 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -80.36 1.24 29.68 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.9 t -57.86 -54.19 49.74 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.237 0.926 . . . . 0.0 111.755 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.83 -47.89 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.16 0.584 . . . . 0.0 110.769 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.75 -63.05 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.764 1.225 . . . . 0.0 111.153 -172.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -55.63 -39.42 70.82 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.599 1.56 . . . . 0.0 112.655 175.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -59.98 -43.82 94.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.121 0.568 . . . . 0.0 112.172 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -56.71 -46.7 81.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.873 0.869 . . . . 0.0 112.001 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.13 -51.63 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.198 0.599 . . . . 0.0 110.833 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.52 85.3 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.721 1.208 . . . . 0.0 112.919 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 mt -58.32 -51.29 70.42 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.62 1.568 . . . . 0.0 111.597 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.4 m -55.54 -49.25 73.15 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.762 0.825 . . . . 0.0 112.64 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.32 -54.6 41.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.822 0.849 . . . . 0.0 111.954 173.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.67 -49.2 78.67 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.326 1.05 . . . . 0.0 113.187 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -61.89 -39.86 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.205 -0.934 . . . . 0.0 111.808 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.41 86.87 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.942 0.792 . . . . 0.0 112.824 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -31.45 69.74 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.912 1.233 . . . . 0.0 113.086 172.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -74.51 -40.08 62.0 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.654 1.182 . . . . 0.0 111.339 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.99 -4.6 53.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.568 1.547 . . . . 0.0 113.013 171.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 59.54 26.2 15.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.873 2.069 . . . . 0.0 112.722 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.03 -39.53 25.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.165 1.786 . . . . 0.0 112.51 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 46.24 32.31 1.45 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.658 1.983 . . . . 0.0 114.431 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.51 167.4 9.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 128.912 2.885 . . . . 0.0 110.076 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -126.76 167.82 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 126.568 1.947 . . . . 0.0 109.081 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -120.05 -56.68 2.0 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.383 1.473 . . . . 0.0 111.45 164.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -152.47 116.56 4.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.884 0.765 . . . . 0.0 111.691 -168.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.26 106.13 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.929 1.291 . . . . 0.0 110.512 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 t -85.44 122.17 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.679 1.592 . . . . 0.0 110.015 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.82 128.32 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.968 1.307 . . . . 0.0 110.508 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.19 125.48 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.927 1.251 . . . . 0.0 111.74 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.96 117.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.203 1.401 . . . . 0.0 108.796 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 141.13 44.89 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.39 -9.02 51.65 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.978 -1.307 . . . . 0.0 113.261 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -103.63 8.51 37.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.691 1.997 . . . . 0.0 114.084 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.3 p -61.08 -27.21 68.19 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.59 18.68 4.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.153 2.181 . . . . 0.0 114.765 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.9 mtm -103.61 147.5 27.13 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.82 1.248 . . . . 0.0 112.455 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -82.08 114.22 20.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.719 1.208 . . . . 0.0 111.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -55.12 -36.94 66.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.379 1.072 . . . . 0.0 113.443 173.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 t -62.19 -45.01 95.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.287 1.435 . . . . 0.0 111.461 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.21 -46.62 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.694 0.797 . . . . 0.0 111.274 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.61 -53.57 56.5 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.33 -44.14 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.112 0.869 . . . . 0.0 112.332 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.3 t -60.21 -34.64 73.93 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 117.65 0.204 . . . . 0.0 111.473 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.65 -46.06 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.725 0.81 . . . . 0.0 111.693 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.82 -48.03 78.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.457 0.703 . . . . 0.0 111.858 173.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -64.27 -32.01 73.43 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.055 0.942 . . . . 0.0 113.445 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -64.25 -55.08 24.02 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.22 -0.925 . . . . 0.0 111.453 168.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -76.19 -7.9 55.86 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -53.72 -33.01 54.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.903 1.229 . . . . 0.0 113.705 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.75 -30.24 43.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.739 2.016 . . . . 0.0 114.104 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.25 -21.02 64.85 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.088 1.355 . . . . 0.0 114.071 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.3 m -138.83 126.28 21.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.207 1.403 . . . . 0.0 112.627 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.37 -44.97 80.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.576 1.15 . . . . 0.0 111.702 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -66.53 -26.82 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.801 0.84 . . . . 0.0 113.178 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -78.11 -22.78 48.37 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.807 1.243 . . . . 0.0 112.517 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.65 -9.95 56.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.182 0.993 . . . . 0.0 113.245 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.53 65.73 1.16 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.931 2.092 . . . . 0.0 110.041 169.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.47 160.21 40.72 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.054 1.741 . . . . 0.0 111.641 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.98 143.22 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.376 1.87 . . . . 0.0 108.885 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.79 155.45 37.6 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.11 0.964 . . . . 0.0 112.74 175.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.22 89.28 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.561 1.145 . . . . 0.0 111.236 160.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -77.02 104.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.568 1.147 . . . . 0.0 110.618 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.16 119.68 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.127 1.771 . . . . 0.0 109.885 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -71.61 110.46 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 110.31 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 139.92 36.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.711 0.804 . . . . 0.0 112.392 -177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -73.03 167.87 20.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.153 0.981 . . . . 0.0 111.81 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.78 158.98 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.419 1.487 . . . . 0.0 111.063 -175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -145.33 127.96 16.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.416 0.687 . . . . 0.0 112.517 -170.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -108.33 98.95 8.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.775 2.03 . . . . 0.0 110.269 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.8 147.38 48.98 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.946 2.098 . . . . 0.0 111.34 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.97 162.74 28.73 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 121.772 0.796 . . . . 0.0 110.993 154.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -61.14 -75.86 0.06 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.554 1.942 . . . . 0.0 114.639 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.12 61.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.621 1.568 . . . . 0.0 110.0 -169.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.27 -153.12 0.45 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.574 1.95 . . . . 0.0 111.273 -161.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.4 p -140.19 3.86 1.99 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -127.56 153.85 45.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.478 1.511 . . . . 0.0 113.202 -174.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.62 154.16 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.593 1.957 . . . . 0.0 109.942 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -140.38 -178.13 5.35 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.31 1.044 . . . . 0.0 112.964 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 140.36 21.13 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 125.542 1.537 . . . . 0.0 111.142 173.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.18 123.57 8.89 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.096 2.531 . . . . 0.0 111.57 -173.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.842 1.257 . . . . 0.0 111.091 177.84 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.033 0 CA-C-O 120.512 -0.049 . . . . 0.0 113.029 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.55 161.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.553 1.941 . . . . 0.0 112.09 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.06 128.27 36.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.05 0.928 . . . . 0.0 110.812 163.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -67.42 -22.81 65.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.917 0.887 . . . . 0.0 112.853 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -83.76 -50.32 8.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.301 1.04 . . . . 0.0 111.324 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -127.92 97.23 4.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.461 1.904 . . . . 0.0 111.294 -175.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -59.71 67.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.97 2.508 . . . . 0.0 116.561 -169.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.3 m -140.28 159.08 42.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.389 2.676 . . . . 0.0 111.568 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.41 8.92 19.74 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.249 2.219 . . . . 0.0 113.873 -176.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -65.61 -7.73 16.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.951 2.1 . . . . 0.0 116.192 -172.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.1 m -53.29 150.6 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.927 1.691 . . . . 0.0 114.319 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.87 153.41 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.819 1.648 . . . . 0.0 112.912 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -78.31 113.55 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.412 1.485 . . . . 0.0 107.7 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.2 t -98.35 -11.82 22.11 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.246 1.018 . . . . 0.0 112.062 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -154.64 131.08 10.51 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.217 2.207 . . . . 0.0 107.779 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.73 -5.1 26.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.194 0.902 . . . . 0.0 115.251 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -61.47 -30.42 70.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.414 1.886 . . . . 0.0 113.371 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -144.05 -178.64 6.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.88 2.072 . . . . 0.0 112.101 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -105.5 149.88 25.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.39 1.076 . . . . 0.0 111.039 155.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -149.03 148.97 30.35 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.454 1.502 . . . . 0.0 111.044 175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.78 158.48 15.64 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.813 -0.554 . . . . 0.0 112.422 167.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.86 -57.8 1.42 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 111.411 -175.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 m -150.05 167.81 25.71 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.222 1.409 . . . . 0.0 111.585 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 118.73 12.16 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 110.683 163.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -75.91 147.73 38.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.338 0.655 . . . . 0.0 109.779 170.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 56.0 mtt -137.57 140.15 40.85 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.169 1.788 . . . . 0.0 109.585 176.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 124.715 1.206 . . . . 0.0 112.28 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.25 -16.49 63.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.967 1.307 . . . . 0.0 114.404 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -95.73 -3.51 45.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.436 1.095 . . . . 0.0 113.6 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -54.35 -54.46 40.14 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.165 0.986 . . . . 0.0 111.859 172.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 p -55.79 -47.04 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.171 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.88 -55.04 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 111.83 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -56.31 -44.85 80.32 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.536 1.135 . . . . 0.0 111.519 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -61.83 -46.35 89.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.865 0.866 . . . . 0.0 112.279 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.66 -54.83 41.56 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.945 1.698 . . . . 0.0 110.89 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.62 -42.36 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.907 0.883 . . . . 0.0 111.796 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.03 92.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.77 -45.09 91.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.242 1.017 . . . . 0.0 111.896 174.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.0 m -53.05 -52.81 57.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.561 1.144 . . . . 0.0 112.554 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -51.47 -58.4 6.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.133 1.373 . . . . 0.0 111.486 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -48.27 82.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.832 1.253 . . . . 0.0 113.33 -176.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -64.34 -38.4 90.89 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.306 -0.872 . . . . 0.0 112.023 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.37 73.75 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.008 0.822 . . . . 0.0 112.395 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -64.21 -32.95 74.73 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.285 0.948 . . . . 0.0 112.925 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -74.31 -38.19 63.4 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.143 0.977 . . . . 0.0 111.38 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -79.96 -2.4 43.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.216 1.406 . . . . 0.0 113.151 171.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 56.34 29.15 14.56 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.757 2.023 . . . . 0.0 112.373 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.8 -37.71 34.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.96 1.304 . . . . 0.0 112.39 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 53.43 12.87 0.39 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.281 2.232 . . . . 0.0 115.743 -176.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -156.84 171.83 19.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.626 2.371 . . . . 0.0 111.477 165.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.6 mt -132.01 143.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.466 1.906 . . . . 0.0 109.004 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -83.45 -68.5 0.71 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.874 1.27 . . . . 0.0 109.854 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -139.71 115.03 9.82 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.824 1.65 . . . . 0.0 112.592 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.3 t -65.77 131.2 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 159.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.7 t -105.32 118.91 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.033 1.333 . . . . 0.0 109.413 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 t -134.43 129.75 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.109 0.964 . . . . 0.0 111.804 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.21 138.63 14.01 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.873 1.225 . . . . 0.0 112.893 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -127.67 125.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.724 1.61 . . . . 0.0 108.629 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.51 143.84 43.04 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.407 0.527 . . . . 0.0 112.211 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.74 -10.85 58.91 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.336 -1.097 . . . . 0.0 112.986 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -115.62 8.58 15.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.082 2.153 . . . . 0.0 114.17 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -67.89 -13.93 62.55 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.71 -6.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 128.812 2.845 . . . . 0.0 117.48 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -72.99 132.56 43.57 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.471 1.509 . . . . 0.0 110.829 172.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.37 111.4 3.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.726 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -53.69 -39.68 65.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.694 1.198 . . . . 0.0 113.22 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.22 -41.01 97.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.727 1.611 . . . . 0.0 112.281 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.59 -43.43 93.85 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.48 -0.762 . . . . 0.0 111.722 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.47 -53.17 61.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.361 0.982 . . . . 0.0 112.532 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -61.32 -44.62 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 118.579 0.627 . . . . 0.0 112.615 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -62.02 -32.94 73.48 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.8 -44.23 70.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.487 -0.758 . . . . 0.0 111.611 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.78 -50.73 60.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.535 0.734 . . . . 0.0 112.069 169.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.63 -16.71 59.49 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -64.13 -54.95 25.83 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.662 -1.274 . . . . 0.0 111.046 164.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -86.19 8.96 19.02 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -50.51 -30.47 12.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.026 1.33 . . . . 0.0 113.381 175.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.39 -18.68 11.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.534 1.934 . . . . 0.0 114.351 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.52 -27.51 69.02 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.218 1.407 . . . . 0.0 113.411 172.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.1 m -153.75 130.48 10.81 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -174.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.63 -31.0 65.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.663 1.185 . . . . 0.0 112.771 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.24 -27.41 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.387 0.675 . . . . 0.0 112.68 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -88.41 -35.12 17.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.989 1.716 . . . . 0.0 112.521 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -56.51 -26.07 53.41 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -114.33 1.0 14.31 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.249 1.419 . . . . 0.0 113.989 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.25 170.81 9.69 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.754 1.221 . . . . 0.0 113.745 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.7 mt -124.06 158.76 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.012 2.125 . . . . 0.0 109.384 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 tt -119.31 102.12 8.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.722 1.609 . . . . 0.0 109.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.62 98.52 9.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.95 2.5 . . . . 0.0 111.082 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.5 mt -80.32 134.75 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.914 1.286 . . . . 0.0 111.045 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.51 132.43 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.769 2.027 . . . . 0.0 110.746 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.4 110.56 8.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.113 1.365 . . . . 0.0 111.094 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.98 132.07 43.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.229 1.012 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -79.75 168.85 18.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.48 -0.762 . . . . 0.0 112.702 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.45 137.42 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.907 1.683 . . . . 0.0 109.829 -174.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -137.98 129.32 27.72 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.882 0.873 . . . . 0.0 111.936 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt -106.38 104.1 13.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.359 1.863 . . . . 0.0 110.939 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.26 149.88 30.23 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.447 -0.783 . . . . 0.0 112.393 168.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.28 150.77 31.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 0.0 111.681 169.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -58.95 -59.96 4.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.665 1.986 . . . . 0.0 114.637 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.3 58.79 1.71 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 111.495 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.94 -156.75 0.72 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.707 2.003 . . . . 0.0 111.485 -164.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.9 p -145.08 15.37 1.52 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -132.67 152.44 51.69 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.526 1.53 . . . . 0.0 112.452 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -139.13 150.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.534 1.933 . . . . 0.0 110.472 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -143.82 178.05 8.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.23 1.012 . . . . 0.0 113.073 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -97.2 142.75 25.01 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.552 1.541 . . . . 0.0 111.865 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.27 132.79 37.62 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.642 2.228 . . . . 0.0 113.414 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 m120 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 127.597 2.359 . . . . 0.0 110.046 176.026 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.331 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.3 m -62.72 153.0 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.65 1.18 . . . . 0.0 113.265 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.14 144.91 53.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.159 1.384 . . . . 0.0 111.214 173.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.39 -39.09 91.78 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.611 0.764 . . . . 0.0 111.814 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -75.31 -55.53 5.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.335 1.454 . . . . 0.0 112.268 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.6 p -119.0 127.28 53.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.424 1.49 . . . . 0.0 112.223 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -80.39 63.35 4.83 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.277 -1.514 . . . . 0.0 113.732 -167.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.4 t -144.97 155.31 43.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.125 1.77 . . . . 0.0 110.061 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -104.09 31.73 4.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.875 1.67 . . . . 0.0 112.647 -175.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.01 -1.28 3.91 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.611 2.765 . . . . 0.0 115.68 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -58.83 157.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.019 1.728 . . . . 0.0 113.83 -175.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.9 152.41 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.001 1.321 . . . . 0.0 112.795 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.2 111.71 8.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 125.31 1.444 . . . . 0.0 108.197 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.3 t -103.6 -5.83 22.28 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.374 1.07 . . . . 0.0 112.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -159.25 130.87 6.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 127.284 2.234 . . . . 0.0 107.467 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.35 14.54 55.62 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.705 1.042 . . . . 0.0 115.705 172.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -54.95 -45.61 74.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.765 1.626 . . . . 0.0 111.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.9 170.16 22.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.573 2.349 . . . . 0.0 111.242 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -66.25 165.2 14.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 113.323 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -159.71 145.16 15.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.1 1.76 . . . . 0.0 111.956 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.39 148.39 50.75 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.507 -0.746 . . . . 0.0 110.474 164.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.34 -60.15 1.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.345 1.458 . . . . 0.0 110.316 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.1 m -152.32 175.37 12.74 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.801 1.641 . . . . 0.0 111.243 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.84 169.86 8.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.68 1.192 . . . . 0.0 108.915 157.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 132.37 36.35 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.688 1.995 . . . . 0.0 108.126 170.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.0 mtt -131.68 127.64 37.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.05 1.34 . . . . 0.0 110.15 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 126.117 1.767 . . . . 0.0 110.788 -179.476 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.14 -17.46 64.49 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.95 2.13 32.04 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.397 1.479 . . . . 0.0 113.381 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 t -61.08 -57.7 11.45 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.412 1.085 . . . . 0.0 110.202 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.16 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.958 0.903 . . . . 0.0 111.856 176.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.36 -57.62 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.499 1.519 . . . . 0.0 111.767 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -56.94 -41.07 77.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.375 1.07 . . . . 0.0 112.308 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -62.05 -40.87 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.163 -0.922 . . . . 0.0 113.124 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.02 -60.01 3.96 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.808 1.185 . . . . 0.0 109.982 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -52.99 -50.66 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.755 1.622 . . . . 0.0 111.567 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.88 81.68 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.55 -44.24 96.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.317 0.962 . . . . 0.0 111.574 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.8 m -58.68 -48.68 80.26 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.913 0.885 . . . . 0.0 111.91 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -55.66 -50.64 69.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.253 0.621 . . . . 0.0 112.129 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -64.7 -37.22 86.84 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.119 1.368 . . . . 0.0 113.232 -176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -70.09 -42.53 72.6 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.349 -0.844 . . . . 0.0 112.408 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.9 96.24 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.593 1.088 . . . . 0.0 112.8 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -66.06 -34.44 78.08 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -78.15 -37.57 45.66 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.773 1.229 . . . . 0.0 111.537 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -79.27 -3.22 44.96 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 170.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 57.84 25.97 12.67 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.831 2.052 . . . . 0.0 112.709 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.88 22.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.119 1.768 . . . . 0.0 112.313 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 48.53 26.67 1.23 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.87 2.068 . . . . 0.0 115.081 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -149.79 168.63 23.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.97 2.508 . . . . 0.0 111.244 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -128.67 153.95 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.936 2.094 . . . . 0.0 108.224 167.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -99.84 -62.47 1.23 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.593 1.157 . . . . 0.0 109.306 161.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -149.5 170.31 18.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.755 1.222 . . . . 0.0 113.647 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.46 110.78 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.799 2.44 . . . . 0.0 108.552 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -86.61 120.77 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.251 1.821 . . . . 0.0 110.184 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.62 132.67 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.473 1.509 . . . . 0.0 110.068 -172.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 126.61 8.93 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 111.888 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.6 mt -128.9 119.75 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.384 1.474 . . . . 0.0 109.72 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.6 141.07 43.53 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.805 0.717 . . . . 0.0 112.615 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.01 -12.08 61.36 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.328 -1.101 . . . . 0.0 113.624 -173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -110.03 7.63 23.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.579 1.952 . . . . 0.0 113.963 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.1 p -61.06 -25.74 67.15 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.09 10.64 0.85 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.709 2.404 . . . . 0.0 115.107 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.7 mtm -84.28 141.42 30.97 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.051 0.94 . . . . 0.0 111.077 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -75.08 100.49 4.23 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.123 0.969 . . . . 0.0 111.501 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -56.78 -38.05 71.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.865 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -67.82 -40.72 83.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.163 1.385 . . . . 0.0 111.288 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.18 -48.73 79.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.808 0.843 . . . . 0.0 110.538 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.38 -50.35 73.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.28 0.946 . . . . 0.0 113.139 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.22 -40.01 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 t -62.85 -30.39 71.47 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.11 61.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.549 1.14 . . . . 0.0 111.113 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -54.35 -47.81 72.15 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.522 0.729 . . . . 0.0 112.301 172.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.18 -40.97 95.91 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.978 1.311 . . . . 0.0 112.66 175.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 111.659 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -83.65 2.97 34.97 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -51.1 -31.59 19.71 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.782 1.174 . . . . 0.0 113.353 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.2 -19.23 53.3 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.421 1.888 . . . . 0.0 114.177 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.15 -24.65 64.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.805 1.242 . . . . 0.0 113.56 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -139.18 119.21 13.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.183 1.393 . . . . 0.0 111.979 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.97 -28.51 57.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.797 1.239 . . . . 0.0 113.904 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.94 -20.26 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.496 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.14 -18.91 26.23 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.768 1.627 . . . . 0.0 113.855 -177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -63.83 -11.18 24.95 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -134.13 74.16 1.53 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.864 2.065 . . . . 0.0 110.137 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.04 170.47 18.3 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.887 1.675 . . . . 0.0 112.583 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.79 149.24 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 127.086 2.155 . . . . 0.0 109.455 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -113.5 103.9 11.73 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.238 1.415 . . . . 0.0 109.885 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.92 91.07 8.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.979 1.712 . . . . 0.0 111.49 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.0 101.38 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.053 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.7 t -78.97 116.53 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.25 1.82 . . . . 0.0 110.206 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -74.91 105.09 5.77 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.585 1.154 . . . . 0.0 110.264 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.77 149.48 24.82 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.188 0.995 . . . . 0.0 112.662 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -66.11 163.96 16.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.605 1.162 . . . . 0.0 111.273 167.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.5 t -130.17 142.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.528 1.531 . . . . 0.0 109.813 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -142.66 141.5 31.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.188 0.995 . . . . 0.0 111.871 -175.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.2 mt -115.14 103.98 11.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.076 2.15 . . . . 0.0 110.77 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.63 151.17 29.15 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.641 -0.662 . . . . 0.0 112.239 167.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.7 t -79.01 153.95 29.87 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.758 0.79 . . . . 0.0 111.436 166.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -62.43 -62.63 1.62 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.754 2.022 . . . . 0.0 114.422 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -128.71 58.09 1.59 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.765 1.626 . . . . 0.0 111.256 -169.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.3 -156.07 0.65 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.895 2.078 . . . . 0.0 111.425 -164.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -148.5 30.41 0.83 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.812 1.245 . . . . 0.0 112.47 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -144.13 149.39 36.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.847 1.259 . . . . 0.0 112.676 -172.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.45 152.73 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 126.499 1.92 . . . . 0.0 110.689 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -144.17 -179.96 6.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.251 1.421 . . . . 0.0 112.067 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 144.93 29.68 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 124.637 1.175 . . . . 0.0 112.305 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.08 121.39 8.01 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.175 2.583 . . . . 0.0 113.102 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 125.402 1.481 . . . . 0.0 111.691 175.53 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.364 0 N-CA-C 114.833 0.693 . . . . 0.0 114.833 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -65.06 156.4 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.147 1.779 . . . . 0.0 112.683 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.1 t -67.8 144.77 55.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.705 1.202 . . . . 0.0 111.372 173.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -63.73 -41.85 97.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.647 0.779 . . . . 0.0 111.845 -175.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -74.39 -57.12 4.15 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.488 1.115 . . . . 0.0 112.261 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.7 p -114.76 120.38 39.86 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.878 1.671 . . . . 0.0 111.749 -172.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.434 ' H ' ' CD2' ' A' ' 97' ' ' HIS . 7.2 p80 -71.8 55.94 0.28 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.673 2.389 . . . . 0.0 114.457 -171.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 156.15 47.0 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.662 1.985 . . . . 0.0 110.565 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 28.44 6.6 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.306 1.842 . . . . 0.0 112.772 -175.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -66.73 -2.03 4.51 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.709 2.404 . . . . 0.0 115.506 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.31 154.7 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.02 1.728 . . . . 0.0 113.78 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.15 153.33 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.098 1.359 . . . . 0.0 113.375 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.0 mp -75.74 107.42 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.055 1.742 . . . . 0.0 109.173 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.5 t -98.36 -6.42 30.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.539 1.136 . . . . 0.0 112.737 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -154.81 127.45 8.02 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 126.719 2.008 . . . . 0.0 107.925 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.84 17.99 79.3 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 123.467 0.556 . . . . 0.0 114.121 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -56.85 -40.83 76.83 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.477 1.911 . . . . 0.0 111.561 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -140.17 164.98 28.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.971 1.708 . . . . 0.0 111.643 172.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -74.18 148.34 41.74 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.343 1.057 . . . . 0.0 111.12 165.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -143.96 164.17 31.35 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.793 2.037 . . . . 0.0 111.027 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.67 154.98 34.89 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.595 -0.691 . . . . 0.0 110.948 158.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -119.89 -53.96 2.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.642 1.177 . . . . 0.0 111.123 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -162.61 173.62 13.68 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.351 1.46 . . . . 0.0 112.101 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -121.83 165.58 15.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.928 1.291 . . . . 0.0 109.076 165.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.37 151.29 51.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.094 1.757 . . . . 0.0 110.297 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.4 mtt -126.41 158.19 36.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.073 1.749 . . . . 0.0 110.899 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 125.746 1.618 . . . . 0.0 109.749 -179.398 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.1 -22.85 61.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.881 1.272 . . . . 0.0 114.309 171.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -103.31 -0.99 29.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.011 1.725 . . . . 0.0 113.469 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.8 t -61.1 -51.84 67.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.866 0.866 . . . . 0.0 110.682 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -47.16 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.084 0.953 . . . . 0.0 111.745 176.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -54.71 -59.58 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.612 1.565 . . . . 0.0 111.575 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.7 t -57.07 -43.35 82.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.958 1.303 . . . . 0.0 111.742 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -61.96 -41.47 98.02 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.428 0.691 . . . . 0.0 112.5 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.67 -43.51 96.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.066 0.848 . . . . 0.0 112.176 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.08 -50.22 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.727 1.211 . . . . 0.0 110.245 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.18 77.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.966 0.906 . . . . 0.0 112.774 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.95 -46.37 89.61 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.205 1.402 . . . . 0.0 112.107 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -56.48 -45.86 80.72 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.012 0.824 . . . . 0.0 111.891 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -58.45 -52.47 65.47 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.58 0.752 . . . . 0.0 112.26 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 65.4 mm-40 -57.16 -51.93 67.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.773 1.229 . . . . 0.0 112.766 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -62.97 -39.27 94.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.512 -0.743 . . . . 0.0 111.717 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.47 83.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.984 0.811 . . . . 0.0 112.391 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 18' ' ' GLU . 24.4 pttt -70.92 -31.28 67.85 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.528 1.058 . . . . 0.0 113.552 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -73.06 -37.11 66.95 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.072 0.949 . . . . 0.0 111.212 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -82.77 -5.03 58.72 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.484 1.514 . . . . 0.0 112.983 171.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 58.8 24.57 12.49 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.145 2.178 . . . . 0.0 113.002 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.69 58.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.165 1.786 . . . . 0.0 112.077 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 51.31 19.12 0.71 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 127.212 2.205 . . . . 0.0 115.542 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -153.15 167.08 30.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 129.062 2.945 . . . . 0.0 109.933 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.1 mm -116.92 166.29 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 126.503 1.921 . . . . 0.0 108.859 168.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -111.53 -66.69 1.06 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.177 1.391 . . . . 0.0 109.424 161.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -139.61 158.92 43.3 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.736 1.614 . . . . 0.0 112.084 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.66 110.69 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 127.079 2.152 . . . . 0.0 110.515 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.5 t -86.26 126.24 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.273 1.829 . . . . 0.0 110.051 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.0 t -133.64 124.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.649 1.579 . . . . 0.0 109.99 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.89 6.51 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 125.047 1.308 . . . . 0.0 111.054 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.01 118.33 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.198 1.399 . . . . 0.0 108.567 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.04 152.04 51.24 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.69 0.662 . . . . 0.0 113.234 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.36 -1.23 28.96 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.443 -1.033 . . . . 0.0 112.917 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -129.93 8.53 5.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.053 2.141 . . . . 0.0 113.592 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -68.89 -16.95 63.9 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.71 3.53 0.21 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.361 2.664 . . . . 0.0 117.363 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -72.56 153.48 41.27 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.676 1.19 . . . . 0.0 111.483 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -79.81 97.26 6.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.14 0.976 . . . . 0.0 110.701 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -57.25 -39.36 75.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.398 . . . . 0.0 112.949 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -61.53 -43.94 97.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.678 1.991 . . . . 0.0 112.116 172.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.0 -41.24 99.53 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.959 0.903 . . . . 0.0 111.523 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.22 -54.34 47.92 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.583 1.083 . . . . 0.0 112.535 176.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.52 -41.87 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 t -60.73 -33.67 73.26 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.83 60.8 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.216 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -52.14 -55.13 22.85 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.108 0.963 . . . . 0.0 111.678 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.02 -36.98 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.126 1.77 . . . . 0.0 113.265 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 m -64.47 -57.98 7.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.366 1.066 . . . . 0.0 111.552 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -79.77 -6.55 57.51 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -47.67 -36.64 11.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.841 2.456 . . . . 0.0 113.487 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.7 -11.74 19.25 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.32 -22.88 65.3 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -137.15 123.19 20.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.866 1.267 . . . . 0.0 112.263 -175.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.89 -35.03 73.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.165 0.986 . . . . 0.0 112.846 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.61 -23.04 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.377 1.071 . . . . 0.0 113.022 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 m -82.68 -27.33 31.33 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.95 1.7 . . . . 0.0 113.34 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -65.51 -2.68 3.56 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.373 1.469 . . . . 0.0 114.834 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -126.51 79.99 1.9 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.307 1.843 . . . . 0.0 109.678 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.03 164.36 35.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.603 1.561 . . . . 0.0 112.102 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.1 mt -136.74 134.89 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.189 1.796 . . . . 0.0 109.367 172.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.18 102.9 14.77 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.074 1.35 . . . . 0.0 110.816 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -78.49 91.76 4.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.607 1.163 . . . . 0.0 111.204 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.41 100.62 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 124.98 1.312 . . . . 0.0 110.005 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.08 125.2 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.171 1.789 . . . . 0.0 110.095 171.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -69.31 100.29 1.31 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 109.945 166.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 150.78 25.36 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.044 0.938 . . . . 0.0 111.214 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 166.05 22.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.649 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -132.68 137.77 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.458 1.503 . . . . 0.0 110.603 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -143.45 153.65 42.87 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.922 1.289 . . . . 0.0 111.283 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.3 mt -122.31 106.11 10.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.755 2.422 . . . . 0.0 111.396 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.61 154.28 27.51 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.455 166.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.3 t -79.12 159.38 27.49 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.872 0.869 . . . . 0.0 111.827 165.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.96 -69.42 0.28 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.629 1.972 . . . . 0.0 113.885 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -121.83 60.83 0.96 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.154 1.781 . . . . 0.0 110.929 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.05 -159.98 1.1 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.719 2.408 . . . . 0.0 110.412 -165.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.0 p -146.04 23.41 1.36 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.738 1.215 . . . . 0.0 113.928 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -131.39 149.87 52.37 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.697 1.599 . . . . 0.0 112.401 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.1 m -137.0 151.51 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.095 1.758 . . . . 0.0 111.204 172.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -143.76 175.69 9.8 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.267 1.427 . . . . 0.0 112.095 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 142.54 24.82 Favored Pre-proline 0 N--CA 1.478 0.973 0 O-C-N 120.723 -1.236 . . . . 0.0 112.502 -177.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.65 172.2 14.85 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.408 2.739 . . . . 0.0 114.002 -172.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 N--CA 1.48 1.05 0 C-N-CA 131.004 3.721 . . . . 0.0 113.696 177.806 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.608 0 N-CA-C 114.82 0.688 . . . . 0.0 114.82 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.88 163.05 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.447 1.499 . . . . 0.0 111.837 167.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.1 141.85 58.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 122.064 0.935 . . . . 0.0 110.713 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.86 -39.09 93.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.542 0.737 . . . . 0.0 111.828 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -77.76 -57.77 3.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.885 1.274 . . . . 0.0 112.524 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -113.16 125.33 54.23 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.339 1.456 . . . . 0.0 111.82 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -79.29 60.91 3.23 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.308 -1.495 . . . . 0.0 113.95 -166.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.0 m -139.03 154.87 48.28 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.103 2.161 . . . . 0.0 110.613 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.29 19.01 16.22 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.844 1.658 . . . . 0.0 113.211 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -68.94 -1.83 8.3 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.931 2.492 . . . . 0.0 115.861 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -55.83 150.39 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.519 1.528 . . . . 0.0 113.446 -175.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.08 156.87 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.614 1.566 . . . . 0.0 112.516 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -68.17 106.54 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.971 1.308 . . . . 0.0 109.54 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -87.7 -12.51 45.14 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 121.653 0.739 . . . . 0.0 112.431 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -160.31 125.63 3.94 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.816 2.046 . . . . 0.0 107.765 -168.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.25 18.24 61.1 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 114.938 0.735 . . . . 0.0 114.938 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.87 -35.76 75.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.984 1.314 . . . . 0.0 113.004 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -142.22 164.53 29.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.89 1.676 . . . . 0.0 110.954 173.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -69.29 155.21 40.8 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.981 0.912 . . . . 0.0 111.322 164.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -151.4 160.81 43.57 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.307 1.443 . . . . 0.0 112.191 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -68.82 150.98 47.21 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.766 -0.584 . . . . 0.0 110.703 157.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.4 mt -116.66 -51.76 2.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.924 1.29 . . . . 0.0 111.56 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -161.86 169.13 21.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.132 1.373 . . . . 0.0 111.34 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.22 166.52 13.87 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.853 1.261 . . . . 0.0 110.899 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -133.33 148.95 51.91 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.658 1.583 . . . . 0.0 110.685 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 mtt -137.32 128.47 27.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.193 2.197 . . . . 0.0 109.73 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.2 mt . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 125.996 1.718 . . . . 0.0 111.607 -178.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.62 -43.52 84.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.659 1.183 . . . . 0.0 112.657 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -86.14 -1.66 57.62 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.1 t -62.9 -55.44 26.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.915 0.78 . . . . 0.0 111.153 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.12 -41.11 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.756 0.822 . . . . 0.0 112.266 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.78 -65.59 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.731 2.013 . . . . 0.0 111.701 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.0 t -53.43 -43.08 67.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.329 1.051 . . . . 0.0 112.179 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t -59.26 -51.94 67.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.456 1.102 . . . . 0.0 112.3 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.5 -51.72 68.64 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.309 1.044 . . . . 0.0 112.264 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -54.62 -47.67 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.914 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.12 85.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.791 0.836 . . . . 0.0 113.085 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.93 -48.78 80.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.308 1.443 . . . . 0.0 112.156 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -62.85 -41.02 99.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.573 1.149 . . . . 0.0 112.408 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.98 -47.36 85.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.918 0.781 . . . . 0.0 111.976 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.25 -43.2 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.798 0.839 . . . . 0.0 112.695 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -62.68 -42.77 99.8 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.173 -0.955 . . . . 0.0 112.259 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.15 95.29 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.907 0.776 . . . . 0.0 112.664 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -66.6 -32.5 73.88 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.371 0.987 . . . . 0.0 113.076 172.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -74.38 -40.85 61.81 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.541 1.136 . . . . 0.0 111.587 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.71 -8.01 56.44 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.428 1.491 . . . . 0.0 112.85 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 57.75 28.82 16.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.828 2.051 . . . . 0.0 112.352 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.49 -36.56 71.16 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.441 1.496 . . . . 0.0 112.236 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.7 m80 54.71 10.99 0.4 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.215 2.206 . . . . 0.0 115.652 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -162.36 178.47 8.63 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.695 2.798 . . . . 0.0 110.937 168.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.1 mt -118.8 163.48 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 126.581 1.952 . . . . 0.0 108.554 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -105.24 -62.47 1.34 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.421 1.088 . . . . 0.0 109.559 162.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -155.74 111.99 3.12 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.657 1.183 . . . . 0.0 111.585 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m -74.65 142.02 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.731 -0.606 . . . . 0.0 109.637 166.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -124.84 125.78 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.52 1.528 . . . . 0.0 108.805 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.4 142.54 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.022 1.329 . . . . 0.0 110.69 -169.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.28 130.78 10.36 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.458 1.504 . . . . 0.0 111.793 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mt -123.14 119.9 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.104 1.362 . . . . 0.0 108.825 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.92 142.08 47.89 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.717 0.675 . . . . 0.0 112.804 -176.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.3 -3.29 19.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.306 1.042 . . . . 0.0 113.603 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -123.6 10.51 9.09 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.461 2.304 . . . . 0.0 113.692 170.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -66.68 -15.92 63.85 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.78 0.28 0.24 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 128.38 2.672 . . . . 0.0 116.747 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.3 ptp -77.1 152.96 34.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.849 1.204 . . . . 0.0 111.875 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -85.8 101.78 13.11 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.45 1.1 . . . . 0.0 110.889 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -51.0 -38.61 52.32 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.185 1.394 . . . . 0.0 113.655 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.3 t -63.25 -48.12 79.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.795 1.638 . . . . 0.0 112.291 174.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.58 -44.42 96.25 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.962 0.905 . . . . 0.0 111.517 175.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.02 -57.34 12.99 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.329 1.052 . . . . 0.0 112.804 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.2 -44.98 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.482 1.037 . . . . 0.0 113.704 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.7 p -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.94 66.99 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.14 0.976 . . . . 0.0 112.068 168.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -54.35 -47.7 72.27 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.918 0.887 . . . . 0.0 112.506 171.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -63.35 -40.12 96.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.733 0.813 . . . . 0.0 112.584 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -59.4 -46.89 87.42 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.028 -1.045 . . . . 0.0 111.826 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -82.21 -0.43 45.16 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -57.48 -27.86 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 120.174 1.352 . . . . 0.0 113.394 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.83 -19.49 6.6 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.881 2.073 . . . . 0.0 114.332 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.85 -33.3 74.97 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.355 1.462 . . . . 0.0 113.43 174.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -140.04 125.29 18.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.565 1.146 . . . . 0.0 112.405 -167.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -35.33 69.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.226 1.01 . . . . 0.0 112.774 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 m -64.52 -27.02 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.695 1.198 . . . . 0.0 113.237 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.53 -27.79 23.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.693 1.597 . . . . 0.0 112.472 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.58 -12.26 59.99 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.292 1.437 . . . . 0.0 113.285 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -131.03 62.81 1.61 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.839 2.055 . . . . 0.0 110.219 172.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.24 170.95 14.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.954 1.701 . . . . 0.0 112.481 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.7 mt -135.75 147.64 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 127.302 2.241 . . . . 0.0 108.479 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 tp -120.92 107.5 12.76 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.606 1.562 . . . . 0.0 110.594 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -96.57 103.07 14.96 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.506 1.922 . . . . 0.0 112.771 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -82.2 122.15 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.025 0.93 . . . . 0.0 111.65 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.7 t -95.05 132.62 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 127.533 2.333 . . . . 0.0 109.636 166.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -75.2 101.87 4.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.278 1.031 . . . . 0.0 110.425 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.95 144.0 32.19 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.53 1.132 . . . . 0.0 112.188 -175.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 160.62 30.1 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.805 1.242 . . . . 0.0 111.722 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.92 143.42 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 110.836 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -145.46 144.59 30.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.573 1.149 . . . . 0.0 111.577 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.8 103.92 10.45 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.372 2.269 . . . . 0.0 110.502 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -82.65 152.17 25.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.008 0.923 . . . . 0.0 112.708 170.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.8 t -76.46 156.66 32.88 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.803 0.811 . . . . 0.0 111.718 165.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -62.14 -62.13 1.99 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.686 1.994 . . . . 0.0 114.62 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -129.67 56.2 1.73 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.566 1.546 . . . . 0.0 111.403 -167.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 -159.23 0.98 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.768 2.027 . . . . 0.0 111.444 -162.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -144.32 18.22 1.72 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.825 1.25 . . . . 0.0 114.356 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -128.86 149.18 50.87 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.631 1.573 . . . . 0.0 112.343 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -137.77 152.2 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.452 1.901 . . . . 0.0 110.232 172.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -140.16 179.82 6.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.572 1.149 . . . . 0.0 113.146 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.3 144.08 27.28 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.252 1.421 . . . . 0.0 111.706 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -69.46 178.15 4.67 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.749 2.966 . . . . 0.0 114.167 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.004 0 C-N-CA 129.271 3.029 . . . . 0.0 114.197 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.655 0 N-CA-C 116.564 1.386 . . . . 0.0 116.564 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -72.04 163.24 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.74 1.27 . . . . 0.0 112.513 169.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 t -61.78 129.24 40.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.348 1.071 . . . . 0.0 110.443 165.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -65.38 -22.63 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.914 0.886 . . . . 0.0 112.619 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -83.99 -53.67 5.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.184 171.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.26 110.04 14.71 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.367 1.867 . . . . 0.0 111.201 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -64.09 58.89 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.417 2.687 . . . . 0.0 116.197 -171.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.5 m -139.3 163.26 32.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.807 2.843 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -106.47 25.18 11.45 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.719 1.607 . . . . 0.0 112.894 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -68.56 -2.74 9.58 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.535 2.334 . . . . 0.0 115.721 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 m -54.38 153.48 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.096 1.758 . . . . 0.0 114.313 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.05 155.2 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.027 1.731 . . . . 0.0 111.956 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.96 109.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.625 1.17 . . . . 0.0 108.492 -175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 t -89.87 -9.54 48.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.393 1.077 . . . . 0.0 112.893 -177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -158.81 127.6 5.38 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.874 2.07 . . . . 0.0 107.994 -169.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.36 16.9 78.83 Favored Glycine 0 CA--C 1.538 1.48 0 N-CA-C 115.666 1.026 . . . . 0.0 115.666 174.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -64.11 -30.12 71.21 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.558 1.143 . . . . 0.0 112.753 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -144.98 171.71 14.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.068 2.147 . . . . 0.0 111.34 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.01 165.94 22.4 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -154.87 147.65 24.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.515 1.926 . . . . 0.0 111.291 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -70.48 153.56 42.81 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.384 -0.822 . . . . 0.0 111.293 163.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mp -114.43 -56.6 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.746 1.618 . . . . 0.0 110.904 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -159.43 168.98 24.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.957 1.303 . . . . 0.0 111.646 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.6 mt -125.78 110.99 14.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.638 1.575 . . . . 0.0 109.443 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -78.65 132.13 36.94 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.642 -0.661 . . . . 0.0 109.403 170.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.0 mtt -120.68 147.65 44.99 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.393 1.477 . . . . 0.0 111.028 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 124.116 0.966 . . . . 0.0 112.176 176.426 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.06 -37.12 76.29 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.289 -1.507 . . . . 0.0 112.836 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -81.3 4.01 22.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.389 1.476 . . . . 0.0 114.298 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 p -54.26 -58.22 8.23 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.548 1.139 . . . . 0.0 112.207 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.89 -47.31 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.196 0.999 . . . . 0.0 110.958 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.13 -61.77 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 124.814 1.246 . . . . 0.0 110.701 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 t -57.86 -42.6 84.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.003 1.321 . . . . 0.0 111.855 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.4 t -60.9 -51.11 70.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.883 0.873 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.11 -45.27 94.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.817 0.847 . . . . 0.0 111.753 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.76 -43.29 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.203 1.001 . . . . 0.0 111.861 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.84 -44.98 82.64 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.656 0.782 . . . . 0.0 112.079 172.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.67 -40.82 98.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.135 0.974 . . . . 0.0 112.502 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -55.12 -54.17 46.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.039 1.291 . . . . 0.0 111.724 171.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.36 -49.87 68.8 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.004 1.322 . . . . 0.0 112.045 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -61.96 -51.59 67.46 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.058 1.343 . . . . 0.0 113.041 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -59.35 -42.68 92.11 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.24 -0.913 . . . . 0.0 112.087 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.01 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.48 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -65.78 -31.57 72.62 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.704 1.138 . . . . 0.0 112.889 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -69.03 -42.75 75.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.779 1.232 . . . . 0.0 110.601 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -82.75 -0.38 47.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.282 1.433 . . . . 0.0 113.509 175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.85 30.25 13.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.856 2.062 . . . . 0.0 112.782 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.36 -39.39 32.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.636 1.574 . . . . 0.0 112.642 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 55.84 10.33 0.54 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.455 2.302 . . . . 0.0 116.209 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -163.42 173.12 13.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 129.535 3.134 . . . . 0.0 109.808 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.94 166.24 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.844 1.657 . . . . 0.0 109.39 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -108.4 -63.08 1.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.972 -1.08 . . . . 0.0 109.387 163.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -151.78 105.71 3.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.308 1.043 . . . . 0.0 112.561 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.79 143.97 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.961 0.904 . . . . 0.0 109.098 162.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.43 125.11 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.494 1.517 . . . . 0.0 108.582 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.85 144.33 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.333 1.453 . . . . 0.0 110.475 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.33 128.75 9.63 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.173 1.368 . . . . 0.0 111.408 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -127.83 127.52 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.845 1.258 . . . . 0.0 108.433 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.9 143.69 48.87 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.229 0.919 . . . . 0.0 113.126 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.89 -13.28 62.02 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.428 -1.042 . . . . 0.0 113.104 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -113.43 4.46 16.29 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.328 1.851 . . . . 0.0 114.147 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -19.5 65.89 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.55 16.08 2.38 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.495 2.318 . . . . 0.0 115.553 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.2 mtt -73.03 141.07 47.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.5 1.52 . . . . 0.0 111.385 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.11 95.23 3.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.101 0.961 . . . . 0.0 110.696 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -52.83 -37.26 59.81 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.508 1.123 . . . . 0.0 113.5 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.92 -40.35 97.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.838 1.655 . . . . 0.0 112.6 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.47 -49.81 72.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.847 0.859 . . . . 0.0 110.093 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.6 -41.41 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 176.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.4 t -61.6 -32.32 72.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.98 57.25 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.034 0.934 . . . . 0.0 111.575 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -52.9 -48.56 67.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.364 1.066 . . . . 0.0 112.327 173.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.3 -46.26 91.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.826 1.25 . . . . 0.0 112.177 174.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -55.2 -38.43 68.38 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.065 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.25 3.21 44.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.242 1.417 . . . . 0.0 114.217 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -55.29 -29.54 58.39 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.431 1.469 . . . . 0.0 113.987 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.78 -16.97 61.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.984 1.714 . . . . 0.0 114.37 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -83.83 -7.01 59.55 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -130.72 172.1 12.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.447 2.299 . . . . 0.0 110.256 173.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.56 -55.91 3.66 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.113 -0.992 . . . . 0.0 110.332 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 m -69.67 -22.27 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.193 1.797 . . . . 0.0 112.266 -170.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.58 -17.02 56.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.424 1.09 . . . . 0.0 112.215 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -28.43 69.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.952 0.797 . . . . 0.0 112.558 173.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -114.74 81.49 1.57 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.665 1.586 . . . . 0.0 109.706 172.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.43 166.56 27.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.18 1.792 . . . . 0.0 112.338 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mm -137.42 154.74 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 128.337 2.655 . . . . 0.0 107.518 168.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 tt -130.24 127.34 39.41 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.221 1.409 . . . . 0.0 110.783 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -117.46 110.17 17.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.24 1.816 . . . . 0.0 112.185 -171.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.24 103.41 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.324 1.05 . . . . 0.0 111.594 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.68 124.65 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.616 1.966 . . . . 0.0 110.419 166.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.55 100.28 4.52 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.339 1.455 . . . . 0.0 110.959 171.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.53 136.78 36.98 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.178 -0.951 . . . . 0.0 112.325 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 164.62 14.39 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.177 1.391 . . . . 0.0 111.713 169.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.73 150.03 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.643 1.577 . . . . 0.0 112.383 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.29 144.67 27.76 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.208 1.003 . . . . 0.0 111.657 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.54 110.25 16.67 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.116 2.166 . . . . 0.0 110.461 -172.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -93.35 153.49 18.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.722 0.809 . . . . 0.0 112.314 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.7 t -74.81 155.98 37.0 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.847 0.832 . . . . 0.0 111.616 166.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.95 -67.01 0.41 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 114.654 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -127.04 58.41 1.44 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.697 1.599 . . . . 0.0 110.82 -170.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.04 -157.56 0.8 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.487 1.915 . . . . 0.0 111.238 -163.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 t -135.48 -2.96 2.41 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -110.4 155.5 22.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.223 1.409 . . . . 0.0 114.155 -172.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 t -144.31 135.92 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 128.172 2.589 . . . . 0.0 109.431 -178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -136.49 177.69 7.65 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.058 1.343 . . . . 0.0 113.246 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 143.58 26.35 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 0.0 112.741 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -71.82 -177.15 2.37 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.63 2.887 . . . . 0.0 113.639 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 129.274 3.03 . . . . 0.0 114.291 -176.888 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.729 0 N-CA-C 116.41 1.324 . . . . 0.0 116.41 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.3 m -73.69 161.99 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 0.0 112.681 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.69 131.08 49.59 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.312 1.053 . . . . 0.0 110.513 163.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.1 -35.42 76.96 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.252 1.021 . . . . 0.0 111.79 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -78.23 -46.18 21.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.85 107.91 9.46 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.3 1.84 . . . . 0.0 111.33 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -64.57 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.006 2.522 . . . . 0.0 116.55 -169.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -137.59 156.36 48.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.637 2.775 . . . . 0.0 110.624 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -94.25 22.78 5.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.795 1.638 . . . . 0.0 113.693 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -68.4 -0.99 5.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.984 2.113 . . . . 0.0 116.055 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 20.3 m -54.94 153.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.809 1.644 . . . . 0.0 114.402 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.333 1.853 . . . . 0.0 112.569 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.43 108.11 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.239 1.416 . . . . 0.0 108.346 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -92.88 -9.04 41.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.327 1.051 . . . . 0.0 112.864 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -154.95 130.1 9.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.25 1.82 . . . . 0.0 108.099 -170.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.6 15.72 81.32 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.312 0.958 . . . . 0.0 115.235 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -71.41 -28.24 63.87 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.315 1.046 . . . . 0.0 112.8 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.88 168.84 21.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.661 1.984 . . . . 0.0 111.901 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -82.05 161.82 22.79 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.757 1.223 . . . . 0.0 113.915 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -158.25 155.64 29.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.457 1.903 . . . . 0.0 112.055 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -65.61 158.11 28.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.235 -0.916 . . . . 0.0 112.039 167.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.3 -60.49 1.41 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.018 1.327 . . . . 0.0 111.739 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.9 m -145.96 167.5 23.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.78 1.232 . . . . 0.0 112.748 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.7 104.57 5.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 108.939 168.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -76.33 142.54 41.22 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.621 0.769 . . . . 0.0 110.242 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.1 152.56 50.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.618 1.567 . . . . 0.0 110.849 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.546 0.815 0 C-N-CA 124.573 1.149 . . . . 0.0 112.359 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.616 -0.593 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 m -133.42 140.3 47.24 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.345 1.458 . . . . 0.0 111.555 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.7 mtt -78.72 40.99 0.4 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.957 1.703 . . . . 0.0 113.754 -176.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -57.06 -34.34 68.16 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.694 -1.254 . . . . 0.0 112.751 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.66 -21.31 60.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.023 1.329 . . . . 0.0 114.52 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.06 -2.81 23.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.237 1.415 . . . . 0.0 113.53 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.3 t -61.87 -54.19 45.48 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.929 0.892 . . . . 0.0 111.047 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 p -57.29 -43.27 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.571 1.148 . . . . 0.0 112.474 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.82 -66.29 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 127.684 2.394 . . . . 0.0 111.359 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.7 t -50.63 -44.4 57.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.166 1.386 . . . . 0.0 112.153 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -56.87 -56.68 18.5 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.294 1.037 . . . . 0.0 112.134 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.63 -47.84 81.11 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.89 -41.74 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.652 0.781 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.334 -0.853 . . . . 0.0 112.521 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.26 -47.01 86.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.627 1.171 . . . . 0.0 112.396 174.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.0 m -50.85 -53.09 35.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.888 0.875 . . . . 0.0 112.124 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.58 -45.18 92.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.369 1.068 . . . . 0.0 112.229 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -66.54 -35.65 80.76 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.015 1.326 . . . . 0.0 113.778 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -68.39 -44.2 75.61 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.019 -1.051 . . . . 0.0 111.994 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.87 84.87 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -67.26 -35.05 78.71 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.808 0.731 . . . . 0.0 112.814 171.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.3 -39.86 38.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.801 1.24 . . . . 0.0 111.216 -172.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -78.56 -3.71 45.07 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.249 1.42 . . . . 0.0 112.978 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 55.48 29.42 13.28 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.859 2.063 . . . . 0.0 112.46 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.28 -37.11 26.35 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.986 1.714 . . . . 0.0 111.886 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 49.89 22.64 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.94 2.096 . . . . 0.0 115.031 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -149.58 169.92 19.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.136 2.574 . . . . 0.0 110.625 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mm -119.48 171.56 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 127.561 2.344 . . . . 0.0 108.177 164.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -125.14 -51.48 1.66 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.797 1.639 . . . . 0.0 110.494 165.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -144.61 156.93 44.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.334 1.453 . . . . 0.0 110.766 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 m -126.36 148.06 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.393 1.077 . . . . 0.0 109.187 157.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -127.12 129.06 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.147 1.379 . . . . 0.0 108.742 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 p -127.51 156.46 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.992 1.317 . . . . 0.0 110.749 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.13 114.47 2.7 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 125.509 1.528 . . . . 0.0 110.305 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.7 mt -112.85 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.975 1.31 . . . . 0.0 109.068 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 141.99 42.23 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.247 0.927 . . . . 0.0 112.266 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -77.23 -1.01 27.37 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.619 -0.93 . . . . 0.0 112.952 -168.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -114.62 -1.25 13.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 128.308 2.643 . . . . 0.0 113.496 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.5 p -67.05 -20.15 65.79 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.37 9.96 0.84 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 127.92 2.488 . . . . 0.0 115.666 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.4 mtm -75.59 138.37 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.172 0.989 . . . . 0.0 111.614 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.66 108.18 9.49 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.937 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.15 -39.76 57.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.122 . . . . 0.0 113.119 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.3 t -60.19 -44.65 94.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.636 1.975 . . . . 0.0 112.738 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 tp -64.17 -48.77 74.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.072 0.949 . . . . 0.0 111.642 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -58.9 -52.81 64.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.639 0.775 . . . . 0.0 112.587 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.54 -42.41 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.341 0.973 . . . . 0.0 113.325 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -60.38 -34.48 73.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 117.949 0.341 . . . . 0.0 111.701 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.97 65.89 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.472 -0.767 . . . . 0.0 112.105 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -55.23 -47.73 74.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.859 1.264 . . . . 0.0 113.421 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -32.7 74.46 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.998 1.319 . . . . 0.0 112.823 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.7 m -67.37 -56.67 8.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.67 1.188 . . . . 0.0 111.581 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -73.86 -8.15 54.97 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -36.81 30.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.646 1.978 . . . . 0.0 112.646 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -63.49 -10.83 19.51 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.746 2.418 . . . . 0.0 115.348 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.61 -28.56 68.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.107 0.963 . . . . 0.0 113.163 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -138.72 129.54 26.45 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.887 1.275 . . . . 0.0 111.974 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -35.29 80.04 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.998 -1.064 . . . . 0.0 113.185 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.05 -24.79 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.191 1.396 . . . . 0.0 112.56 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.41 -28.47 37.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.796 1.638 . . . . 0.0 113.241 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -68.19 -27.3 66.28 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -168.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -89.62 73.48 7.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.116 1.367 . . . . 0.0 110.774 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.41 166.08 34.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.167 1.387 . . . . 0.0 112.387 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.6 mm -138.26 148.99 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.784 2.034 . . . . 0.0 109.022 165.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.8 tp -109.25 118.85 37.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.784 2.034 . . . . 0.0 110.749 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.6 111.28 23.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.82 2.048 . . . . 0.0 112.172 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.93 107.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.489 1.116 . . . . 0.0 112.061 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.99 122.19 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.051 1.341 . . . . 0.0 110.133 164.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.11 106.69 4.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.982 1.313 . . . . 0.0 110.261 168.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -96.65 148.23 23.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.127 0.971 . . . . 0.0 112.717 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.87 179.43 7.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.417 1.487 . . . . 0.0 112.609 -176.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.6 t -112.41 140.34 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.572 1.549 . . . . 0.0 110.826 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.18 136.82 28.54 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.105 1.362 . . . . 0.0 112.254 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -111.29 113.01 25.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.007 2.123 . . . . 0.0 110.707 -174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.12 149.43 21.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.389 1.476 . . . . 0.0 111.407 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 4.4 t -96.33 139.79 31.94 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.009 0.924 . . . . 0.0 111.904 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -55.48 -70.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.993 2.517 . . . . 0.0 115.056 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -112.28 25.53 11.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.054 2.142 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.429 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 5.5 t -115.55 -146.32 0.4 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.719 2.808 . . . . 0.0 110.909 -160.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t -158.25 42.34 0.28 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.849 . . . . 0.0 112.493 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -146.48 156.57 43.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.8 t -146.61 134.35 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 127.801 2.441 . . . . 0.0 109.732 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -143.88 177.58 8.44 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.561 1.144 . . . . 0.0 113.844 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.93 143.3 25.89 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.135 1.774 . . . . 0.0 112.363 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -70.54 108.65 2.27 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.833 2.355 . . . . 0.0 111.285 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -136.21 -68.03 0.51 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.757 1.223 . . . . 0.0 112.495 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.84 165.4 24.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.014 0.926 . . . . 0.0 112.968 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.29 -63.38 0.76 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.426 1.49 . . . . 0.0 112.398 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.25 -44.16 97.18 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.218 1.007 . . . . 0.0 111.848 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -105.02 27.92 7.71 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.6 2.36 . . . . 0.0 112.051 175.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.9 23.66 2.07 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 127.313 2.387 . . . . 0.0 115.429 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 m -66.34 162.43 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.032 1.733 . . . . 0.0 112.428 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 147.53 53.31 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.22 1.01 . . . . 0.0 111.535 172.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.46 -44.59 86.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.049 0.94 . . . . 0.0 112.064 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -74.98 -56.33 4.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.3 p -113.72 123.21 49.33 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.211 1.404 . . . . 0.0 112.009 -172.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -79.59 67.97 5.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.248 -1.532 . . . . 0.0 113.41 -168.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.1 t -144.79 164.37 31.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.329 1.852 . . . . 0.0 110.966 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -104.77 21.63 16.59 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.52 1.928 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -65.74 -4.95 7.32 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.756 2.022 . . . . 0.0 115.229 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.79 152.51 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 126.067 1.747 . . . . 0.0 113.684 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.09 156.25 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.39 1.476 . . . . 0.0 112.735 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.4 mm -70.22 109.86 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.828 1.251 . . . . 0.0 109.276 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.9 t -94.08 -11.5 30.48 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.245 0.545 . . . . 0.0 112.01 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -160.18 129.66 5.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.135 2.174 . . . . 0.0 107.725 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.13 -32.33 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.612 1.101 . . . . 0.0 114.223 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.24 -23.55 26.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.371 1.069 . . . . 0.0 113.468 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.22 138.23 54.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.045 1.338 . . . . 0.0 112.181 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.36 155.06 23.72 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.258 1.423 . . . . 0.0 111.649 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -151.38 157.04 41.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 111.525 168.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -67.95 145.03 54.92 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.957 -0.464 . . . . 0.0 111.083 163.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -105.62 -55.52 2.31 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.077 1.351 . . . . 0.0 111.102 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 t -162.13 170.69 18.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.271 1.429 . . . . 0.0 111.323 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mt -128.97 163.0 26.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.37 1.468 . . . . 0.0 110.321 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -136.6 150.17 48.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 111.106 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.9 mtt -129.42 151.52 49.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.273 1.829 . . . . 0.0 111.206 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.9 tp -106.53 119.39 39.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.252 1.821 . . . . 0.0 109.109 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.24 65.18 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 125.268 1.427 . . . . 0.0 112.903 -170.362 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -140.94 165.58 27.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.425 1.49 . . . . 0.0 111.891 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 89.1 mtp -130.99 10.68 5.02 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.791 2.036 . . . . 0.0 112.827 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -58.45 -24.85 61.35 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -59.52 -22.66 61.96 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.751 -1.218 . . . . 0.0 113.99 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -91.31 5.16 50.34 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.731 1.613 . . . . 0.0 113.584 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -54.84 -55.85 25.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 111.518 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -56.6 -48.8 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.046 0.538 . . . . 0.0 110.931 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.19 -57.27 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 125.271 1.428 . . . . 0.0 111.591 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 t -57.9 -43.97 86.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.983 1.313 . . . . 0.0 111.844 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -64.39 -39.01 93.02 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -54.7 44.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.473 1.509 . . . . 0.0 110.164 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -55.13 -48.59 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.279 1.431 . . . . 0.0 111.62 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.73 86.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.34 1.056 . . . . 0.0 113.242 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.92 -50.77 72.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.563 1.145 . . . . 0.0 111.331 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.23 -47.39 75.42 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.902 0.881 . . . . 0.0 112.924 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.44 -54.69 37.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.758 1.223 . . . . 0.0 111.435 173.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.01 -48.28 82.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.603 1.161 . . . . 0.0 112.909 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -60.69 -42.27 96.83 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.449 -0.782 . . . . 0.0 111.76 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.14 78.02 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.672 -0.643 . . . . 0.0 112.701 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -66.25 -32.47 73.91 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.664 1.12 . . . . 0.0 112.82 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.42 -37.74 60.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.898 0.879 . . . . 0.0 111.501 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.49 -2.13 40.67 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.188 1.395 . . . . 0.0 112.938 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 56.17 27.31 11.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.907 2.083 . . . . 0.0 112.69 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.46 -34.87 41.15 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.583 1.553 . . . . 0.0 111.942 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.7 m80 55.68 9.84 0.46 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.442 2.297 . . . . 0.0 115.586 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -153.61 171.17 19.2 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 128.452 2.701 . . . . 0.0 110.558 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 mt -103.72 162.1 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.86 1.264 . . . . 0.0 108.601 166.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -99.85 -57.67 2.09 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.148 -0.97 . . . . 0.0 109.027 156.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -144.21 153.7 42.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.886 1.274 . . . . 0.0 112.632 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -123.31 147.25 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.519 1.927 . . . . 0.0 109.874 163.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.51 119.03 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.99 1.316 . . . . 0.0 109.711 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 p -107.43 141.71 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.426 1.491 . . . . 0.0 110.959 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -107.71 119.83 5.9 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 126.093 1.806 . . . . 0.0 110.748 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.5 122.9 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.842 1.257 . . . . 0.0 108.608 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.02 143.64 46.76 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 123.295 0.474 . . . . 0.0 112.499 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -68.9 -12.79 61.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.467 -1.019 . . . . 0.0 112.872 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -116.8 8.85 13.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.958 2.103 . . . . 0.0 114.081 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -66.02 -14.61 61.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.68 13.55 2.7 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.549 2.34 . . . . 0.0 115.873 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtt -76.18 173.4 11.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.612 1.565 . . . . 0.0 111.714 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -124.48 102.65 7.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.734 1.214 . . . . 0.0 111.275 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -56.56 -33.92 66.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.567 1.547 . . . . 0.0 114.198 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.1 t -65.62 -44.45 86.48 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.674 1.19 . . . . 0.0 110.918 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.42 -45.16 94.36 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.072 -0.393 . . . . 0.0 110.308 171.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -59.74 -54.32 47.66 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.492 0.495 . . . . 0.0 111.847 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.22 -42.45 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -61.4 -32.54 72.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.167 0.44 . . . . 0.0 111.814 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.49 62.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.227 1.011 . . . . 0.0 111.615 173.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -53.33 -50.24 65.4 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.73 0.695 . . . . 0.0 112.484 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.45 -34.54 77.98 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.377 1.071 . . . . 0.0 113.156 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.6 m -64.31 -50.24 68.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.316 -0.865 . . . . 0.0 111.474 171.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.55 -8.18 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.022 1.329 . . . . 0.0 114.347 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -54.45 -27.75 39.5 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.968 1.307 . . . . 0.0 113.729 -172.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.2 6.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.492 1.917 . . . . 0.0 114.063 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.35 -18.56 50.85 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.006 1.722 . . . . 0.0 114.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 t -147.04 134.82 21.19 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.3 -28.39 66.73 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.852 1.261 . . . . 0.0 113.331 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.26 -33.75 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.019 0.827 . . . . 0.0 111.83 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.5 m -81.19 -24.91 37.16 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.769 1.627 . . . . 0.0 113.177 -173.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -69.33 -10.55 58.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.589 1.556 . . . . 0.0 114.671 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -137.29 57.92 1.73 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.828 1.651 . . . . 0.0 111.174 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.07 17.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.532 1.533 . . . . 0.0 113.337 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.01 141.29 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.112 1.765 . . . . 0.0 110.479 174.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tp -113.19 107.71 16.28 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.963 1.705 . . . . 0.0 109.506 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.44 145.13 24.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.518 1.127 . . . . 0.0 111.957 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mm -103.72 146.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.571 1.548 . . . . 0.0 110.755 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.48 121.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.821 2.049 . . . . 0.0 109.155 166.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.22 99.73 1.96 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.155 0.982 . . . . 0.0 110.045 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.76 136.75 43.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.889 1.275 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.59 164.16 10.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.727 0.811 . . . . 0.0 111.211 170.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.28 159.98 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.804 1.241 . . . . 0.0 112.257 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -153.2 139.54 18.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.204 0.601 . . . . 0.0 112.493 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.7 mt -110.26 101.04 9.82 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 127.944 2.498 . . . . 0.0 111.125 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.43 146.25 28.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 170.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.82 150.04 25.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.062 1.345 . . . . 0.0 113.009 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.54 -59.52 5.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.351 1.861 . . . . 0.0 114.789 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.16 58.04 1.73 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.658 1.583 . . . . 0.0 111.178 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.74 -154.33 0.51 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.424 1.89 . . . . 0.0 111.144 -165.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 p -149.96 16.85 0.87 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.52 1.528 . . . . 0.0 113.294 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -136.07 150.52 49.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.242 1.817 . . . . 0.0 111.8 -171.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.13 151.93 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.995 1.718 . . . . 0.0 110.304 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.75 -175.88 4.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.674 1.59 . . . . 0.0 111.565 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -118.89 145.37 37.72 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.443 1.097 . . . . 0.0 112.082 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.61 111.61 1.93 Allowed 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.816 3.011 . . . . 0.0 112.278 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -145.56 -57.46 0.32 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.055 1.342 . . . . 0.0 112.137 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.87 166.78 14.87 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 124.138 0.975 . . . . 0.0 113.305 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.42 -69.49 0.69 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.682 1.593 . . . . 0.0 111.578 177.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.78 -23.44 66.72 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.717 1.207 . . . . 0.0 113.453 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -123.83 21.02 9.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.262 2.225 . . . . 0.0 112.668 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.01 22.15 1.25 Allowed Glycine 0 CA--C 1.541 1.66 0 C-N-CA 126.642 2.068 . . . . 0.0 115.787 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.65 167.08 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.547 1.939 . . . . 0.0 112.034 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.26 135.53 57.76 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.192 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.26 -39.82 88.13 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.394 1.077 . . . . 0.0 111.971 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -72.88 -60.92 2.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.805 1.242 . . . . 0.0 112.209 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.7 p -116.16 105.93 13.15 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.744 1.618 . . . . 0.0 111.375 -168.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -61.48 64.76 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 128.331 2.652 . . . . 0.0 116.14 -171.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 m -145.19 159.6 42.75 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 128.172 2.589 . . . . 0.0 111.163 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -95.06 21.39 7.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.101 2.161 . . . . 0.0 113.425 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.59 -4.91 9.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.551 1.941 . . . . 0.0 115.791 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.57 157.59 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.838 1.655 . . . . 0.0 114.462 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.25 154.34 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.145 1.778 . . . . 0.0 112.128 176.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.45 108.26 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.948 1.299 . . . . 0.0 108.386 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.4 t -93.81 -4.43 50.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 113.018 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -158.05 127.31 5.78 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.426 1.89 . . . . 0.0 108.135 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.31 19.08 79.8 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 115.548 0.979 . . . . 0.0 115.548 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -65.41 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.498 1.119 . . . . 0.0 112.274 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -146.73 170.94 15.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.416 1.887 . . . . 0.0 111.91 175.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -71.45 165.66 23.35 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -155.87 161.71 40.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.668 2.387 . . . . 0.0 111.203 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -69.99 157.0 38.31 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.29 -0.881 . . . . 0.0 111.211 157.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.05 -52.82 2.29 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.566 1.146 . . . . 0.0 111.595 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.2 t -159.36 171.96 18.84 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 112.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -133.51 163.49 29.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.069 1.748 . . . . 0.0 110.423 165.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.13 147.97 39.33 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.454 1.502 . . . . 0.0 110.44 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -128.01 161.59 28.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.219 1.408 . . . . 0.0 111.065 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.38 67.43 0.33 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.612 1.965 . . . . 0.0 113.926 -175.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.39 -55.1 8.63 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.886 1.674 . . . . 0.0 113.191 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 124.633 1.173 . . . . 0.0 112.121 -178.238 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -142.39 171.71 13.69 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.471 1.508 . . . . 0.0 111.871 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.9 mmt -130.68 7.6 4.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.129 2.172 . . . . 0.0 112.413 174.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -63.8 -15.99 60.13 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.17 1.388 . . . . 0.0 114.229 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -38.39 5.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.598 2.359 . . . . 0.0 112.312 174.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.94 -3.45 25.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.792 1.237 . . . . 0.0 114.115 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.3 p -52.61 -54.06 38.3 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.354 1.862 . . . . 0.0 112.432 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.58 -51.07 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.582 0.753 . . . . 0.0 110.406 171.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.8 -60.52 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.472 1.109 . . . . 0.0 111.642 -168.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -40.07 76.36 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.757 1.223 . . . . 0.0 112.074 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -60.79 -39.2 87.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.784 -0.573 . . . . 0.0 112.06 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -52.15 66.21 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.144 1.378 . . . . 0.0 111.456 172.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.75 -50.72 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.453 0.701 . . . . 0.0 111.014 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.04 79.34 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.375 1.07 . . . . 0.0 112.887 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.85 -41.9 97.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.077 1.351 . . . . 0.0 112.107 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -50.35 73.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.419 1.487 . . . . 0.0 111.826 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.24 -48.32 79.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.564 1.146 . . . . 0.0 112.067 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.1 -46.76 87.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.29 1.036 . . . . 0.0 112.905 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -60.57 -42.03 95.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.247 -0.908 . . . . 0.0 111.978 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.97 89.86 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -67.13 -31.04 71.23 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.366 0.985 . . . . 0.0 113.08 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -72.59 -42.87 64.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -81.04 -1.32 43.57 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.663 1.185 . . . . 0.0 113.367 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 56.18 29.55 14.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.864 2.065 . . . . 0.0 112.798 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.99 -41.1 23.27 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.626 1.57 . . . . 0.0 112.51 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 54.2 2.1 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.366 2.667 . . . . 0.0 117.339 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -143.03 161.87 36.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.312 2.645 . . . . 0.0 109.762 165.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mm -112.81 168.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.507 1.523 . . . . 0.0 110.127 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -122.73 -53.23 1.88 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.715 1.606 . . . . 0.0 111.173 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -158.4 108.81 2.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.228 1.011 . . . . 0.0 112.85 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.23 138.13 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.72 125.71 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.297 1.439 . . . . 0.0 109.613 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.0 136.89 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.584 1.554 . . . . 0.0 109.945 -169.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.88 107.12 2.92 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.635 1.588 . . . . 0.0 111.54 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mt -109.67 129.27 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.859 1.264 . . . . 0.0 108.36 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.24 46.88 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.989 -0.444 . . . . 0.0 112.582 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.13 -9.09 51.07 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.247 -1.149 . . . . 0.0 113.139 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -117.59 10.41 13.44 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.05 2.14 . . . . 0.0 114.088 170.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -68.42 -4.62 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.51 24.15 8.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.876 2.07 . . . . 0.0 115.556 171.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ptp -119.42 129.97 55.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.792 1.637 . . . . 0.0 111.602 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -73.99 111.0 8.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.706 1.203 . . . . 0.0 111.586 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -54.78 -29.64 54.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.361 1.465 . . . . 0.0 114.468 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.8 t -59.44 -37.58 78.49 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.645 1.578 . . . . 0.0 112.572 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.88 -45.11 79.08 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.633 -0.667 . . . . 0.0 109.79 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.86 -51.9 66.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.816 -171.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.64 -42.37 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -60.31 -34.34 73.66 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.135 0.425 . . . . 0.0 111.872 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.56 64.33 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.78 0.832 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.59 -46.7 73.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.359 1.063 . . . . 0.0 112.711 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -57.46 -42.0 81.66 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.884 1.674 . . . . 0.0 112.624 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -66.02 -54.03 31.17 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.696 1.198 . . . . 0.0 112.37 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -73.52 -2.23 21.83 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -32.44 17.45 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.258 1.423 . . . . 0.0 114.449 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.75 -18.3 65.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.448 1.899 . . . . 0.0 113.958 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -64.22 -8.72 13.49 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.721 1.609 . . . . 0.0 113.414 168.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 p -128.41 -173.92 3.09 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.584 2.354 . . . . 0.0 112.26 170.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.67 -48.91 4.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.199 0.6 . . . . 0.0 111.913 154.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -60.67 -29.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.764 1.226 . . . . 0.0 113.113 -170.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -13.62 57.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.473 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -63.68 -37.45 87.4 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.333 -0.854 . . . . 0.0 111.845 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -98.34 65.32 1.66 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.173 1.389 . . . . 0.0 110.691 165.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.01 155.07 42.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.214 1.405 . . . . 0.0 112.282 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.88 150.3 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 127.932 2.493 . . . . 0.0 108.511 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 tt -123.77 132.37 53.78 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.631 1.573 . . . . 0.0 111.302 -177.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.38 107.83 11.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.429 1.891 . . . . 0.0 111.424 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.67 110.8 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.656 0.782 . . . . 0.0 111.583 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.35 129.31 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.051 1.74 . . . . 0.0 109.988 165.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -77.41 101.28 6.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.748 1.219 . . . . 0.0 110.817 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.58 142.04 33.18 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.858 1.263 . . . . 0.0 112.216 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.1 163.12 28.61 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 112.359 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.6 t -128.11 140.67 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.486 1.514 . . . . 0.0 110.41 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -133.71 134.01 42.51 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.599 1.16 . . . . 0.0 112.276 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.04 102.36 10.83 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.988 1.715 . . . . 0.0 111.797 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -87.49 148.09 25.09 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 127.001 2.12 . . . . 0.0 111.985 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.9 t -84.85 153.3 23.01 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.309 1.043 . . . . 0.0 113.221 173.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.26 -61.41 2.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.553 1.941 . . . . 0.0 114.576 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -130.05 58.45 1.66 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.722 1.609 . . . . 0.0 111.146 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.52 -157.95 0.82 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.96 2.104 . . . . 0.0 111.512 -165.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -149.65 37.69 0.74 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.87 1.268 . . . . 0.0 111.849 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -147.95 147.96 30.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.945 1.298 . . . . 0.0 112.586 -172.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.85 154.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 126.409 1.883 . . . . 0.0 110.748 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -144.61 178.23 8.12 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.899 1.279 . . . . 0.0 114.086 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.86 134.02 36.3 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 126.812 2.045 . . . . 0.0 111.144 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.36 118.3 5.27 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.986 2.457 . . . . 0.0 112.166 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -144.25 -76.51 0.23 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.652 1.181 . . . . 0.0 112.233 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.08 168.62 19.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 113.467 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.66 -67.77 0.67 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.751 1.621 . . . . 0.0 112.122 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.54 -26.41 68.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.181 0.993 . . . . 0.0 113.111 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -123.64 24.47 8.49 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.582 2.753 . . . . 0.0 111.401 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.69 31.84 3.53 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 127.606 2.527 . . . . 0.0 113.858 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.52 161.87 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 126.674 1.989 . . . . 0.0 112.685 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.33 140.2 58.65 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 122.075 0.94 . . . . 0.0 111.375 169.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.52 -40.21 93.81 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.248 1.019 . . . . 0.0 111.93 -175.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -75.75 -56.53 4.59 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.441 1.096 . . . . 0.0 112.076 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.81 111.77 20.18 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.799 1.64 . . . . 0.0 112.061 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -65.25 57.67 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.663 2.785 . . . . 0.0 116.0 -171.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.5 m -140.4 155.64 46.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.482 2.313 . . . . 0.0 111.296 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -88.6 20.62 3.32 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 126.027 1.731 . . . . 0.0 113.638 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.74 -4.17 8.4 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.1 156.65 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.786 1.635 . . . . 0.0 114.409 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.62 156.58 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.542 1.937 . . . . 0.0 111.93 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.8 mp -76.55 113.14 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.033 1.333 . . . . 0.0 108.544 179.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 t -95.07 -12.24 26.88 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 0.0 112.613 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.95 134.11 9.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 126.643 1.977 . . . . 0.0 107.61 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.62 5.97 73.99 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -64.3 -45.9 85.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.296 1.839 . . . . 0.0 112.727 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -136.18 162.52 32.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.66 1.584 . . . . 0.0 112.595 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.0 ptm -78.48 164.6 24.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.01 1.324 . . . . 0.0 114.391 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -148.78 165.31 31.83 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.979 2.112 . . . . 0.0 112.111 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.9 156.81 31.8 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 164.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.56 -45.46 2.19 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.853 1.261 . . . . 0.0 112.249 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -158.8 169.3 24.68 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.322 1.049 . . . . 0.0 112.55 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mp -138.36 98.65 3.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.106 1.763 . . . . 0.0 107.97 164.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -75.01 132.01 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.857 0.863 . . . . 0.0 108.881 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.5 ptp -143.02 136.92 28.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.21 1.404 . . . . 0.0 110.771 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.09 90.77 0.2 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.021 1.728 . . . . 0.0 112.681 -172.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -157.35 125.1 5.36 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.283 2.233 . . . . 0.0 109.777 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.241 0.611 0 C-N-CA 126.288 1.835 . . . . 0.0 111.718 176.379 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -69.11 93.05 0.57 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.871 1.668 . . . . 0.0 112.56 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.0 ttm -142.08 140.28 32.5 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.04 1.736 . . . . 0.0 110.331 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -55.26 -47.21 75.79 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.281 1.032 . . . . 0.0 113.753 -171.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.1 -17.29 64.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -103.5 -3.05 25.85 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.153 1.381 . . . . 0.0 113.541 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -58.4 -50.24 74.38 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.208 1.003 . . . . 0.0 110.9 173.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -55.74 -52.74 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.36 -59.44 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.751 1.62 . . . . 0.0 111.028 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 t -58.97 -41.52 87.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.195 1.398 . . . . 0.0 111.726 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 t -61.2 -52.49 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.708 0.803 . . . . 0.0 111.74 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -56.37 20.92 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.953 1.301 . . . . 0.0 110.517 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.72 -48.61 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.867 1.667 . . . . 0.0 111.711 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.65 92.18 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.95 -46.95 87.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.756 . . . . 0.0 111.443 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -52.76 -49.32 65.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.383 1.473 . . . . 0.0 112.197 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.64 -36.9 79.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.945 1.298 . . . . 0.0 113.184 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -46.28 77.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -61.5 -41.56 97.48 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.09 0.556 . . . . 0.0 111.932 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.71 53.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.513 0.725 . . . . 0.0 112.318 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -62.1 -32.29 72.83 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -73.06 -37.75 66.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.982 0.913 . . . . 0.0 111.311 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -81.99 -1.34 47.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.727 1.611 . . . . 0.0 113.489 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.67 32.63 17.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.905 2.082 . . . . 0.0 112.676 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.29 59.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -171.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 56.33 4.15 0.13 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.461 2.304 . . . . 0.0 116.461 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -163.67 170.49 17.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.655 2.382 . . . . 0.0 111.409 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -131.52 151.04 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.81 2.044 . . . . 0.0 109.442 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.24 -60.4 1.8 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.405 0.682 . . . . 0.0 110.077 166.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -154.16 165.35 36.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 m -126.63 118.03 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.093 2.157 . . . . 0.0 109.779 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -91.27 127.58 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.279 1.431 . . . . 0.0 109.853 -173.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.17 121.57 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.544 1.137 . . . . 0.0 110.974 -173.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.21 119.71 5.53 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.618 1.58 . . . . 0.0 112.038 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.0 mt -128.81 129.61 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.794 1.637 . . . . 0.0 109.941 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.57 143.72 46.34 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 123.593 0.616 . . . . 0.0 112.831 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -28.63 49.53 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.727 -1.455 . . . . 0.0 113.647 -173.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -93.46 1.49 56.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.993 2.117 . . . . 0.0 113.9 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -66.7 -21.42 66.09 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.25 22.62 3.76 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.835 2.054 . . . . 0.0 115.144 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -58.19 136.17 57.22 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.843 1.257 . . . . 0.0 112.243 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.72 61.45 1.39 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.47 1.908 . . . . 0.0 111.94 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -53.96 -33.54 57.21 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.133 2.573 . . . . 0.0 114.715 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -61.87 -44.1 97.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.167 1.387 . . . . 0.0 112.112 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -66.54 -42.91 86.47 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.628 -0.67 . . . . 0.0 110.094 172.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.72 -54.76 43.48 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.681 -173.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.72 -42.78 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -61.32 -32.14 72.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.855 0.359 . . . . 0.0 111.891 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -46.44 58.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.231 1.012 . . . . 0.0 111.645 173.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -52.56 -47.9 66.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.587 0.755 . . . . 0.0 112.433 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.12 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.324 1.05 . . . . 0.0 112.549 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 m -58.54 -43.47 89.3 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.028 -1.045 . . . . 0.0 111.895 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -81.99 -2.39 51.42 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.265 1.426 . . . . 0.0 114.329 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -61.11 -25.97 67.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.512 1.506 . . . . 0.0 113.735 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.54 -22.62 66.16 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.917 1.687 . . . . 0.0 113.378 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.31 -16.49 59.76 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.3 m -134.03 115.86 14.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.599 1.56 . . . . 0.0 110.031 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.44 -31.43 71.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -164.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 m -72.7 -26.04 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.175 1.79 . . . . 0.0 112.524 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.1 -15.69 40.37 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.669 1.588 . . . . 0.0 112.981 -171.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -32.97 62.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.569 1.077 . . . . 0.0 113.462 173.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -87.15 -9.2 55.87 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.974 1.31 . . . . 0.0 114.217 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 162.59 28.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.7 mt -135.36 140.91 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 127.384 2.274 . . . . 0.0 108.365 172.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 129.75 34.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.632 0.773 . . . . 0.0 109.598 173.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -118.91 85.2 2.32 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.482 1.513 . . . . 0.0 111.61 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.69 129.69 36.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 111.34 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.62 118.17 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.951 2.1 . . . . 0.0 110.059 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -75.47 96.07 3.4 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.624 1.97 . . . . 0.0 112.522 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.12 130.79 35.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.218 1.407 . . . . 0.0 112.645 176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -60.71 131.7 51.54 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.283 1.033 . . . . 0.0 110.776 166.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.93 153.07 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.917 1.287 . . . . 0.0 110.733 169.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.53 145.71 31.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.763 0.825 . . . . 0.0 113.153 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.23 117.89 30.8 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.684 2.393 . . . . 0.0 110.434 -173.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -98.96 156.39 16.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.852 0.861 . . . . 0.0 111.949 169.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.2 t -80.54 160.5 25.16 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.81 0.814 . . . . 0.0 112.048 168.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -66.1 -69.95 0.27 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.911 2.085 . . . . 0.0 113.906 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.16 59.01 1.09 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.257 1.823 . . . . 0.0 110.659 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.69 -155.24 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.942 2.097 . . . . 0.0 110.608 -165.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 p -147.9 18.48 1.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.696 1.598 . . . . 0.0 113.309 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -131.26 152.58 50.39 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.249 1.42 . . . . 0.0 113.378 -170.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.4 t -146.0 137.9 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.962 2.505 . . . . 0.0 109.602 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -142.97 177.86 8.07 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.311 1.445 . . . . 0.0 113.199 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 143.28 26.4 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 125.748 1.619 . . . . 0.0 112.146 177.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.18 113.8 3.8 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.12 2.547 . . . . 0.0 113.253 -167.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -145.26 157.15 44.13 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.678 1.991 . . . . 0.0 109.966 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 56.3 -179.5 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 128.54 2.736 . . . . 0.0 116.07 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.78 -51.15 0.78 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.679 1.592 . . . . 0.0 112.988 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.0 -24.07 67.75 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.561 1.144 . . . . 0.0 113.884 -177.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -130.56 24.28 5.1 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.904 2.082 . . . . 0.0 112.804 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -80.09 14.34 21.45 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 125.477 1.513 . . . . 0.0 115.441 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -69.17 168.66 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.698 1.999 . . . . 0.0 113.403 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -62.11 135.58 57.58 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 121.994 0.902 . . . . 0.0 110.858 167.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.99 -39.82 91.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.251 1.02 . . . . 0.0 112.006 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -72.49 -59.35 2.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.082 1.353 . . . . 0.0 112.277 173.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -117.75 112.32 20.28 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.307 1.443 . . . . 0.0 111.676 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -74.87 68.38 1.75 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -163.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -141.58 160.9 39.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.161 2.184 . . . . 0.0 111.361 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -91.25 13.73 16.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.9 2.08 . . . . 0.0 113.924 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -65.49 -8.01 17.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.253 1.821 . . . . 0.0 115.847 -173.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.1 m -54.84 151.5 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.987 1.715 . . . . 0.0 113.77 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.95 154.19 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.676 1.59 . . . . 0.0 112.261 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -78.7 109.08 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.589 1.156 . . . . 0.0 108.41 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.02 -9.33 53.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.91 0.884 . . . . 0.0 112.809 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -161.93 126.97 3.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.545 . . . . 0.0 108.785 -167.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.83 12.37 81.45 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.468 1.033 . . . . 0.0 115.375 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -57.74 -37.68 74.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.5 1.52 . . . . 0.0 112.862 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -145.76 171.57 14.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.175 2.19 . . . . 0.0 110.703 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.96 152.46 24.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.211 1.004 . . . . 0.0 111.909 -176.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -160.46 165.67 30.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.875 1.27 . . . . 0.0 113.273 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.95 155.61 13.08 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.36 0.664 . . . . 0.0 111.993 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -128.66 -49.01 1.26 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.653 1.181 . . . . 0.0 112.015 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.4 p -164.06 179.32 7.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.304 1.842 . . . . 0.0 111.418 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 mp -137.07 163.78 29.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.589 1.156 . . . . 0.0 110.668 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.69 146.65 38.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.987 1.315 . . . . 0.0 111.784 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.71 151.01 51.96 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.129 1.772 . . . . 0.0 111.342 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.86 107.64 12.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.35 1.46 . . . . 0.0 109.615 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.37 -45.77 2.42 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.469 1.508 . . . . 0.0 113.556 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.24 0.572 0 C-N-CA 125.317 1.447 . . . . 0.0 111.995 -173.427 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -134.77 17.28 3.56 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.099 1.36 . . . . 0.0 113.689 -175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -140.33 166.72 23.93 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.488 1.515 . . . . 0.0 112.644 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -107.17 -4.95 18.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.247 1.419 . . . . 0.0 114.181 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -52.55 -59.42 4.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.666 1.586 . . . . 0.0 113.393 -169.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -87.27 -7.4 57.89 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -60.97 -50.2 74.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.097 0.959 . . . . 0.0 111.195 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 t -54.96 -51.24 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.465 0.706 . . . . 0.0 110.689 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.55 -58.86 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 125.052 1.341 . . . . 0.0 111.308 -168.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.1 t -56.7 -41.62 77.71 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.769 1.228 . . . . 0.0 112.213 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.7 t -60.61 -48.09 83.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.5 0.72 . . . . 0.0 112.287 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.37 -50.94 71.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.347 1.059 . . . . 0.0 112.459 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.68 -49.39 68.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.426 1.09 . . . . 0.0 110.883 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.72 95.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.827 0.851 . . . . 0.0 113.247 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.27 -45.34 88.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.203 1.801 . . . . 0.0 111.648 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.5 -49.78 76.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.281 1.032 . . . . 0.0 111.825 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.19 90.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.875 0.87 . . . . 0.0 112.328 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -60.59 -42.52 96.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.485 1.114 . . . . 0.0 113.35 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -69.37 -39.01 78.29 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.135 -0.978 . . . . 0.0 112.626 170.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -36.27 82.42 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -34.38 77.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.345 0.975 . . . . 0.0 112.773 170.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -76.84 -46.42 24.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.346 1.458 . . . . 0.0 110.81 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -77.56 -2.49 35.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.194 1.398 . . . . 0.0 113.097 172.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 56.37 27.67 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 112.777 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.73 55.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.727 1.611 . . . . 0.0 112.519 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m80 54.25 4.65 0.06 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 128.219 2.608 . . . . 0.0 117.402 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.88 146.01 17.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.716 2.006 . . . . 0.0 111.394 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.3 147.41 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.235 1.014 . . . . 0.0 109.488 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -89.9 -64.28 1.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.282 1.033 . . . . 0.0 110.083 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -143.62 113.07 6.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.184 1.394 . . . . 0.0 111.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -73.47 144.11 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 162.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -128.5 118.1 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.684 1.194 . . . . 0.0 109.793 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -125.21 145.16 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.986 1.714 . . . . 0.0 110.067 -174.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -117.3 135.37 11.82 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 125.006 1.289 . . . . 0.0 111.233 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -133.11 132.4 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.756 1.622 . . . . 0.0 108.393 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.95 146.8 47.06 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 121.547 0.526 . . . . 0.0 113.712 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -67.26 -17.47 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.365 1.466 . . . . 0.0 112.86 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -111.75 0.21 16.18 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.388 1.875 . . . . 0.0 113.903 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.2 m -70.6 -15.63 62.77 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.405 1.082 . . . . 0.0 113.834 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.29 3.05 0.23 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 128.337 2.655 . . . . 0.0 117.334 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.8 mtm -68.99 119.52 13.42 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.818 1.247 . . . . 0.0 111.002 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -69.5 93.56 0.69 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.406 1.482 . . . . 0.0 112.71 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -51.54 -36.08 43.51 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.829 2.052 . . . . 0.0 114.332 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -62.64 -39.37 93.65 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.693 1.597 . . . . 0.0 112.982 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.49 -43.43 63.66 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.362 -0.836 . . . . 0.0 109.705 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -58.13 -53.7 55.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.577 0.751 . . . . 0.0 111.629 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.96 -42.98 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 172.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -62.12 -31.37 71.83 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.237 0.472 . . . . 0.0 111.816 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -48.03 64.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.043 0.937 . . . . 0.0 111.677 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.76 -45.96 85.2 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.945 0.898 . . . . 0.0 112.225 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.92 -50.0 75.69 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 0.0 111.51 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.1 m -54.61 -52.01 63.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.992 0.917 . . . . 0.0 111.587 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -79.67 9.62 4.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -31.29 19.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.189 1.359 . . . . 0.0 113.128 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.62 -20.63 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.823 1.649 . . . . 0.0 114.383 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.57 -18.0 64.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.8 1.24 . . . . 0.0 113.207 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -151.07 123.29 8.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.642 1.177 . . . . 0.0 112.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.52 -27.9 51.45 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.404 1.082 . . . . 0.0 113.31 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 m -66.5 -28.82 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.487 1.115 . . . . 0.0 113.161 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.19 -23.86 28.15 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.099 1.76 . . . . 0.0 113.619 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.12 -11.32 38.8 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.44 1.37 11.76 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.238 1.815 . . . . 0.0 113.519 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.66 169.17 17.98 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.138 1.375 . . . . 0.0 113.445 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.0 mm -132.92 157.52 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 127.353 2.261 . . . . 0.0 108.967 169.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tp -121.39 103.79 9.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.131 1.773 . . . . 0.0 110.717 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.77 124.21 32.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.806 1.642 . . . . 0.0 111.815 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.8 mt -116.91 99.12 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.505 1.122 . . . . 0.0 111.264 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.4 t -69.84 127.77 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 127.011 2.124 . . . . 0.0 111.311 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -79.01 100.03 7.13 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.107 1.363 . . . . 0.0 110.811 168.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -83.06 140.5 32.64 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.498 1.119 . . . . 0.0 112.671 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.72 160.02 32.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.592 0.757 . . . . 0.0 111.636 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.83 140.27 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.285 1.434 . . . . 0.0 110.209 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.24 138.15 39.81 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.4 mt -117.96 97.29 5.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 127.129 2.172 . . . . 0.0 112.876 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 152.77 33.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 126.935 2.094 . . . . 0.0 112.338 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.27 163.37 24.03 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 121.949 0.88 . . . . 0.0 112.601 170.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -68.4 -67.26 0.48 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.584 1.954 . . . . 0.0 114.057 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.27 60.52 1.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.782 1.633 . . . . 0.0 111.056 -169.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.24 -159.78 1.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.995 2.118 . . . . 0.0 111.254 -163.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -150.52 63.08 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.482 1.113 . . . . 0.0 110.353 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -155.74 154.57 31.65 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.393 1.077 . . . . 0.0 113.239 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 p -151.04 140.56 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 127.263 2.225 . . . . 0.0 111.146 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.76 -178.44 5.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.832 2.053 . . . . 0.0 111.822 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -110.02 146.0 33.26 Favored Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 124.703 1.201 . . . . 0.0 112.564 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -65.52 101.23 0.43 Allowed 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.791 2.994 . . . . 0.0 112.008 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -142.09 -58.23 0.46 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 112.114 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.84 164.13 22.66 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.025 0.93 . . . . 0.0 113.17 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.42 -63.02 0.85 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.627 1.571 . . . . 0.0 111.997 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.88 -25.29 66.32 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.931 0.892 . . . . 0.0 112.861 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -107.82 21.35 17.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.162 2.185 . . . . 0.0 112.289 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.25 3.04 11.76 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 126.129 1.823 . . . . 0.0 116.568 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.17 165.51 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.234 1.414 . . . . 0.0 112.773 169.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.04 140.41 58.84 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 122.077 0.942 . . . . 0.0 110.858 169.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.46 -38.29 89.23 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.785 0.834 . . . . 0.0 111.839 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.29 -56.41 4.58 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.368 1.067 . . . . 0.0 112.468 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.66 124.44 49.73 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.225 1.41 . . . . 0.0 112.295 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -78.54 69.41 4.72 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.356 -1.465 . . . . 0.0 113.545 -168.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -145.93 159.27 43.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.168 2.187 . . . . 0.0 110.824 172.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -99.58 22.53 10.71 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.908 1.683 . . . . 0.0 113.079 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.79 -3.03 13.77 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.313 2.245 . . . . 0.0 115.792 -173.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.4 m -53.95 152.46 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.956 1.703 . . . . 0.0 114.399 -174.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 155.76 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.244 1.818 . . . . 0.0 112.012 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.09 111.36 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.679 1.192 . . . . 0.0 108.448 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.5 t -92.26 -13.03 31.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.851 0.86 . . . . 0.0 112.414 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -157.57 125.65 5.45 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 127.354 2.262 . . . . 0.0 107.567 -170.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.78 38.84 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 115.71 1.044 . . . . 0.0 115.71 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -58.47 -48.9 79.25 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.83 1.315 . . . . 0.0 112.333 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -153.38 167.56 29.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.66 1.584 . . . . 0.0 112.52 -172.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.5 ttt -66.91 147.77 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.221 1.408 . . . . 0.0 112.402 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -141.9 152.72 43.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.424 1.49 . . . . 0.0 112.503 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.14 115.77 17.21 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.601 1.561 . . . . 0.0 108.781 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.01 -64.5 0.93 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.952 0.796 . . . . 0.0 111.199 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -159.27 171.26 20.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.639 1.576 . . . . 0.0 113.113 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.02 115.39 17.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.613 1.565 . . . . 0.0 109.629 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -78.66 107.47 11.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.785 0.834 . . . . 0.0 108.841 167.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.48 150.78 41.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.915 0.886 . . . . 0.0 111.435 173.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt -80.24 75.69 7.04 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.737 0.815 . . . . 0.0 110.574 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.77 -64.99 1.05 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.125 1.37 . . . . 0.0 112.536 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 124.886 1.275 . . . . 0.0 112.384 -179.076 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -125.28 88.67 2.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.693 1.597 . . . . 0.0 110.777 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.03 94.87 0.36 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.504 1.522 . . . . 0.0 111.654 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -135.05 -36.71 0.81 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.36 1.464 . . . . 0.0 113.36 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.26 -29.15 65.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.683 1.193 . . . . 0.0 113.656 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -71.82 -5.88 37.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.185 1.394 . . . . 0.0 114.172 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.6 t -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.502 1.121 . . . . 0.0 111.817 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.57 -50.66 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.378 0.671 . . . . 0.0 110.556 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.43 -58.23 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.683 1.593 . . . . 0.0 111.554 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.9 t -57.31 -42.84 82.58 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.289 1.436 . . . . 0.0 111.97 175.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -62.18 -48.39 80.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.33 0.652 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.06 -54.36 36.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.082 1.753 . . . . 0.0 110.525 176.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -49.95 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.319 1.448 . . . . 0.0 111.72 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.42 85.67 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.33 -47.52 81.86 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.631 0.772 . . . . 0.0 111.506 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 t -54.3 -48.66 71.03 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.615 1.166 . . . . 0.0 112.162 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -53.86 -59.5 4.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.321 1.448 . . . . 0.0 111.911 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.37 75.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.926 1.29 . . . . 0.0 113.22 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.36 -42.85 96.65 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.459 -0.775 . . . . 0.0 112.187 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.75 72.99 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.631 -0.668 . . . . 0.0 112.475 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -66.65 -26.04 66.87 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.507 1.049 . . . . 0.0 113.672 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -71.07 -42.88 68.81 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.314 1.046 . . . . 0.0 110.748 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -79.49 -3.83 48.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.184 1.794 . . . . 0.0 113.189 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 61.74 23.91 14.13 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.725 2.01 . . . . 0.0 112.7 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.84 -43.87 29.05 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.041 1.336 . . . . 0.0 112.747 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 56.73 5.93 0.26 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.737 2.415 . . . . 0.0 116.751 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.13 170.23 21.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.52 2.728 . . . . 0.0 110.612 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -129.35 153.98 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.447 1.499 . . . . 0.0 110.459 -166.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.04 -67.08 0.85 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.093 0.957 . . . . 0.0 108.475 162.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -145.04 169.8 17.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.726 1.61 . . . . 0.0 113.938 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.28 126.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 127.711 2.404 . . . . 0.0 108.7 168.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.12 127.88 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.208 1.403 . . . . 0.0 109.986 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.9 t -131.43 122.7 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.348 1.059 . . . . 0.0 111.617 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.11 137.11 13.69 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.678 1.609 . . . . 0.0 113.211 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mt -135.0 131.54 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.984 2.113 . . . . 0.0 108.731 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.49 128.91 46.45 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 123.73 0.681 . . . . 0.0 113.067 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -68.94 -18.91 64.16 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.305 -1.115 . . . . 0.0 113.8 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.56 -4.75 23.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.101 1.361 . . . . 0.0 113.928 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -78.84 -14.27 59.34 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.919 1.288 . . . . 0.0 113.269 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.03 16.86 2.36 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.887 2.475 . . . . 0.0 116.934 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.36 136.0 55.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.181 0.993 . . . . 0.0 111.614 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -72.8 86.88 1.26 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.274 1.43 . . . . 0.0 112.427 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -26.59 45.6 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -57.99 -38.89 76.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.007 1.323 . . . . 0.0 112.062 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.06 -43.95 81.39 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.654 -0.654 . . . . 0.0 110.0 172.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.9 -53.27 59.81 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -170.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -41.79 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t -62.68 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.02 68.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.992 0.917 . . . . 0.0 111.42 173.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -54.47 30.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.838 0.855 . . . . 0.0 111.512 170.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -71.95 -18.59 62.0 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.7 m -67.83 -56.86 7.56 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.175 -0.953 . . . . 0.0 110.981 166.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -77.01 -9.65 58.84 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.82 -30.77 15.15 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.288 1.435 . . . . 0.0 114.268 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.75 -30.84 15.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.909 2.084 . . . . 0.0 114.122 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.44 -16.72 56.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.34 1.456 . . . . 0.0 114.388 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -138.03 125.49 21.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.54 1.536 . . . . 0.0 113.022 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.77 -34.46 71.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.482 1.113 . . . . 0.0 112.668 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -32.64 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.262 0.625 . . . . 0.0 111.479 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.5 m -76.26 -23.6 54.47 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 125.531 1.533 . . . . 0.0 112.72 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -68.17 -14.16 62.77 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.913 1.285 . . . . 0.0 113.696 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -129.28 76.55 1.73 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.65 1.98 . . . . 0.0 109.571 170.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.92 166.29 33.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.753 2.021 . . . . 0.0 111.904 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.6 mt -134.84 151.39 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 126.114 1.766 . . . . 0.0 109.107 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tt -118.5 110.68 17.69 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.879 1.272 . . . . 0.0 110.359 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.86 108.41 20.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.263 1.825 . . . . 0.0 111.218 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mm -68.8 140.13 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.448 1.099 . . . . 0.0 110.381 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -128.59 123.94 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.052 1.741 . . . . 0.0 110.185 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.81 96.73 4.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.649 0.78 . . . . 0.0 110.508 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.49 144.41 55.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 110.75 169.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.95 164.03 7.03 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.573 -0.705 . . . . 0.0 111.484 166.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.13 160.58 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.964 0.906 . . . . 0.0 111.179 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -157.21 144.22 18.47 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.503 0.721 . . . . 0.0 110.959 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.2 mp -123.83 124.6 43.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.914 1.685 . . . . 0.0 111.119 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -96.81 156.11 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.962 0.905 . . . . 0.0 111.928 171.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.2 155.06 22.71 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.879 0.872 . . . . 0.0 111.597 168.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -70.23 0.24 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.02 2.128 . . . . 0.0 113.821 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -115.07 59.86 0.7 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.101 1.76 . . . . 0.0 111.66 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.89 -153.27 0.46 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.162 2.585 . . . . 0.0 109.627 -168.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 t -147.42 14.24 1.1 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 168.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -127.6 158.94 36.16 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.729 1.212 . . . . 0.0 113.694 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -146.79 133.22 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.703 2.401 . . . . 0.0 109.982 -168.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.19 -177.78 6.13 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.057 1.343 . . . . 0.0 114.127 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.01 142.26 24.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.835 1.654 . . . . 0.0 113.011 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -72.98 109.71 2.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.394 3.396 . . . . 0.0 112.714 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -142.87 157.81 44.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.858 2.063 . . . . 0.0 109.64 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 56.5 176.97 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 128.431 2.692 . . . . 0.0 115.196 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.04 -51.06 0.83 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.275 1.43 . . . . 0.0 113.063 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.07 -21.99 66.9 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.252 -0.905 . . . . 0.0 113.17 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -112.15 17.57 19.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.427 2.291 . . . . 0.0 112.197 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.44 -2.87 51.6 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.988 1.756 . . . . 0.0 116.391 -170.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 m -58.79 167.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 118.657 1.229 . . . . 0.0 112.658 167.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.32 161.34 3.38 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.358 1.463 . . . . 0.0 111.975 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.43 -46.16 18.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.553 . . . . 0.0 111.448 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -79.28 -75.41 0.24 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 111.766 176.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.2 p -71.35 176.07 4.91 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.097 1.359 . . . . 0.0 111.657 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -123.09 44.23 2.73 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.602 -1.311 . . . . 0.0 113.716 -169.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.9 m -131.53 155.67 47.05 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.695 1.198 . . . . 0.0 111.964 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -92.13 15.64 13.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.214 2.206 . . . . 0.0 113.711 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -0.11 5.32 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.692 1.997 . . . . 0.0 115.788 -176.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.47 149.02 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.598 1.159 . . . . 0.0 112.842 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.36 152.05 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.516 1.527 . . . . 0.0 111.846 178.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -73.57 115.06 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.538 1.535 . . . . 0.0 108.227 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -101.16 -6.31 24.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.458 1.103 . . . . 0.0 112.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -154.45 121.83 5.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.598 1.959 . . . . 0.0 108.836 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 95.77 2.94 61.06 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.851 1.215 . . . . 0.0 115.511 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.3 -33.32 67.56 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.411 1.485 . . . . 0.0 114.276 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -137.35 154.13 50.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.563 1.545 . . . . 0.0 110.768 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ptm -76.63 147.43 37.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.331 0.652 . . . . 0.0 111.987 170.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -150.18 153.15 35.79 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.654 1.582 . . . . 0.0 111.903 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -61.3 153.71 25.77 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.888 -0.507 . . . . 0.0 112.198 167.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -118.51 -51.99 2.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.075 1.35 . . . . 0.0 111.916 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -160.79 173.65 15.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.363 1.065 . . . . 0.0 112.19 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.64 160.33 23.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.544 1.538 . . . . 0.0 109.561 166.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -126.98 143.69 51.22 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.924 1.69 . . . . 0.0 110.108 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.7 mtt -134.59 157.95 45.27 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.784 1.634 . . . . 0.0 110.8 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.2 mt -131.3 96.89 4.12 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.188 1.395 . . . . 0.0 111.395 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.36 -11.58 8.33 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.824 1.65 . . . . 0.0 113.983 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 125.389 1.476 . . . . 0.0 112.576 179.59 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -75.76 74.9 2.72 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.734 1.213 . . . . 0.0 112.187 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.4 mtp -76.42 136.22 39.45 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.131 1.372 . . . . 0.0 111.263 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -62.7 -27.18 69.08 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.441 0.696 . . . . 0.0 112.621 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -56.12 -44.49 79.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.014 1.325 . . . . 0.0 112.335 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -86.04 0.61 52.96 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.821 1.248 . . . . 0.0 114.08 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.0 t -58.1 -55.02 40.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.033 0.933 . . . . 0.0 111.178 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.23 -49.17 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.659 0.783 . . . . 0.0 111.06 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.11 -61.79 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 125.372 1.469 . . . . 0.0 111.38 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.7 t -59.9 -44.25 94.37 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.056 1.342 . . . . 0.0 111.619 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 m -60.94 -48.59 81.11 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.352 0.661 . . . . 0.0 112.248 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.57 -52.85 63.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.052 0.842 . . . . 0.0 112.373 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -51.29 -48.27 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.196 0.999 . . . . 0.0 111.127 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.94 88.1 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -43.78 97.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.183 1.393 . . . . 0.0 111.788 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.51 -48.33 82.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.427 1.491 . . . . 0.0 112.361 173.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -56.26 -48.59 76.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.146 0.978 . . . . 0.0 111.238 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.39 -47.78 78.24 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.976 1.31 . . . . 0.0 112.409 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -61.87 -40.8 96.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.126 -0.984 . . . . 0.0 112.408 173.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.4 92.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.325 0.966 . . . . 0.0 112.317 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -19.38 61.72 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -81.59 -42.68 19.73 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.695 1.198 . . . . 0.0 111.023 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -81.0 -5.54 57.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.138 1.775 . . . . 0.0 113.028 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 63.46 21.68 12.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.904 2.082 . . . . 0.0 112.886 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.88 69.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.725 1.21 . . . . 0.0 112.376 -173.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.4 m80 55.01 18.06 2.11 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.716 2.006 . . . . 0.0 114.699 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -165.56 174.71 9.6 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 129.367 3.067 . . . . 0.0 110.115 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -114.47 177.35 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 126.299 1.84 . . . . 0.0 107.985 170.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -118.27 -62.53 1.53 Allowed 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.283 -1.511 . . . . 0.0 110.011 160.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -153.82 107.41 2.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.975 0.91 . . . . 0.0 112.341 -168.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -78.6 147.68 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.927 0.891 . . . . 0.0 110.86 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.73 114.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.242 1.417 . . . . 0.0 109.653 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.3 t -131.19 117.05 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.06 1.344 . . . . 0.0 111.38 -171.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.34 134.84 13.95 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.043 1.306 . . . . 0.0 112.528 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -130.13 131.14 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.371 1.869 . . . . 0.0 108.314 174.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.3 143.74 48.62 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.864 0.745 . . . . 0.0 113.925 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.01 -16.73 63.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.591 1.157 . . . . 0.0 112.877 -173.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -113.69 3.23 15.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.422 1.889 . . . . 0.0 113.944 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -68.55 -23.95 64.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.944 0.898 . . . . 0.0 112.985 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.27 9.97 0.4 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 128.121 2.568 . . . . 0.0 116.727 173.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.72 154.87 41.43 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.139 -0.975 . . . . 0.0 112.94 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.99 85.78 4.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.98 1.312 . . . . 0.0 111.514 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -54.14 -28.24 38.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.255 1.822 . . . . 0.0 114.63 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 t -55.76 -42.47 75.5 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.679 1.592 . . . . 0.0 112.28 172.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.312 0.505 . . . . 0.0 110.69 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.04 -50.37 73.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 110.968 -174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -41.35 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 p -66.87 -31.65 72.39 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.078 0.399 . . . . 0.0 111.911 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.04 -49.79 64.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.507 1.123 . . . . 0.0 111.123 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.34 -55.28 19.26 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.756 0.823 . . . . 0.0 111.567 172.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.42 -42.47 78.1 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.527 1.531 . . . . 0.0 113.338 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -63.3 -44.24 95.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.51 0.724 . . . . 0.0 112.053 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -83.57 -25.48 30.9 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -63.1 -14.98 54.94 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.54 -9.74 14.67 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.543 1.537 . . . . 0.0 114.525 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -62.79 -18.62 63.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.517 1.527 . . . . 0.0 113.82 172.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -137.52 174.0 11.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.917 1.687 . . . . 0.0 111.396 173.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.27 -46.34 9.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.25 1.42 . . . . 0.0 111.549 173.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -62.97 -28.45 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 125.191 1.396 . . . . 0.0 112.044 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.72 -21.32 59.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.55 2.34 . . . . 0.0 113.418 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -81.9 -36.12 28.45 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -77.52 74.94 4.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.674 1.19 . . . . 0.0 110.198 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.24 158.05 43.86 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.864 1.265 . . . . 0.0 112.538 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.3 mt -131.7 148.4 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.528 2.331 . . . . 0.0 107.719 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -116.61 105.24 12.22 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.967 1.307 . . . . 0.0 111.326 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -80.82 105.9 12.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.451 1.1 . . . . 0.0 111.595 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.29 105.59 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 109.341 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.34 130.58 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.245 1.418 . . . . 0.0 110.304 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.68 94.06 2.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.745 1.218 . . . . 0.0 111.45 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.45 123.94 26.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.581 1.153 . . . . 0.0 110.911 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 160.02 12.8 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.224 -0.923 . . . . 0.0 111.991 170.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.79 159.36 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.025 0.93 . . . . 0.0 112.344 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -151.46 140.23 20.84 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.53 98.02 6.98 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.567 2.347 . . . . 0.0 111.591 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.82 150.09 29.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.861 1.665 . . . . 0.0 111.857 167.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.6 t -90.1 154.24 19.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.176 1.39 . . . . 0.0 112.872 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -62.34 -63.29 1.28 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.247 1.819 . . . . 0.0 114.493 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -128.76 60.1 1.53 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.698 1.599 . . . . 0.0 111.023 -170.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -141.62 -156.83 0.71 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.889 2.076 . . . . 0.0 111.39 -165.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 t -151.01 33.33 0.59 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.887 1.275 . . . . 0.0 112.319 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -147.02 150.77 35.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.982 1.313 . . . . 0.0 112.486 -171.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.58 151.68 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 126.176 1.79 . . . . 0.0 110.848 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.75 -175.29 4.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.772 1.629 . . . . 0.0 112.03 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -113.89 145.69 34.03 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.791 1.236 . . . . 0.0 112.508 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.55 110.43 1.85 Allowed 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 124.096 3.198 . . . . 0.0 112.497 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -136.03 -58.48 0.76 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.476 1.51 . . . . 0.0 111.633 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.75 167.62 15.01 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.214 1.006 . . . . 0.0 113.025 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.19 -67.6 0.7 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.446 1.498 . . . . 0.0 111.693 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.46 -28.41 69.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.567 1.147 . . . . 0.0 113.143 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -117.43 26.78 9.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.443 2.297 . . . . 0.0 112.21 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.44 23.8 1.2 Allowed Glycine 0 CA--C 1.54 1.596 0 C-N-CA 127.101 2.286 . . . . 0.0 115.497 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 m -64.84 162.74 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.092 1.757 . . . . 0.0 112.051 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -66.55 148.54 51.75 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.248 1.019 . . . . 0.0 111.428 172.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.44 -44.81 81.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.702 0.801 . . . . 0.0 111.967 -175.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -74.25 -56.42 4.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.669 1.188 . . . . 0.0 112.175 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.0 p -111.64 123.88 51.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.524 1.53 . . . . 0.0 111.527 -173.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.59 60.49 3.31 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.24 -1.537 . . . . 0.0 113.609 -168.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.3 m -138.48 155.95 47.97 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.043 2.137 . . . . 0.0 110.793 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -100.44 16.4 24.68 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.967 1.707 . . . . 0.0 113.279 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.52 -1.07 5.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.823 2.449 . . . . 0.0 115.984 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.0 m -56.11 154.35 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.464 1.506 . . . . 0.0 113.978 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.7 155.23 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.219 1.808 . . . . 0.0 111.854 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 mm -77.51 107.73 9.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.143 0.977 . . . . 0.0 108.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.6 t -90.41 -10.04 45.33 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.445 -0.784 . . . . 0.0 112.279 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -159.15 126.03 4.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.551 1.941 . . . . 0.0 108.414 -173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.05 22.45 59.26 Favored Glycine 0 CA--C 1.536 1.381 0 N-CA-C 114.832 0.693 . . . . 0.0 114.832 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -33.58 72.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 112.265 175.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -149.51 165.56 31.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.877 1.671 . . . . 0.0 111.748 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.1 ptm -69.43 144.99 53.15 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.18 0.592 . . . . 0.0 112.27 172.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -150.95 144.61 25.05 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.953 1.701 . . . . 0.0 111.516 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -61.25 149.68 37.01 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.677 -0.639 . . . . 0.0 112.723 167.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -105.2 -60.0 1.68 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.417 1.487 . . . . 0.0 110.319 170.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.4 p -155.8 165.86 35.24 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.459 1.504 . . . . 0.0 112.776 -169.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.7 mt -132.96 108.32 8.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.934 1.693 . . . . 0.0 109.313 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -77.15 143.36 39.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.432 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 62.2 mtt -131.59 140.19 49.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.717 1.607 . . . . 0.0 112.442 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.51 116.7 9.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.742 1.617 . . . . 0.0 111.36 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.6 -59.14 0.77 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.413 1.485 . . . . 0.0 112.377 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 124.562 1.145 . . . . 0.0 111.996 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 t -65.96 -52.79 46.49 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.149 0.979 . . . . 0.0 113.173 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 37.0 mtt -89.09 141.14 28.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.225 1.01 . . . . 0.0 111.663 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -63.17 -34.65 78.09 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.723 0.809 . . . . 0.0 113.101 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.47 -26.48 68.55 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -84.71 -2.5 57.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 t -56.71 -50.11 73.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.16 -49.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.577 0.751 . . . . 0.0 110.892 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.49 -56.46 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.229 1.011 . . . . 0.0 111.015 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -57.88 -38.19 75.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.343 1.057 . . . . 0.0 112.003 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.5 t -62.6 -43.59 98.43 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.736 0.814 . . . . 0.0 111.863 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 tt -56.39 -50.15 72.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.676 1.19 . . . . 0.0 111.106 174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.5 -49.41 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.227 0.922 . . . . 0.0 111.1 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.67 90.7 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.34 1.056 . . . . 0.0 113.018 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 mt -63.18 -50.89 68.56 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.048 1.339 . . . . 0.0 111.914 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.8 m -55.83 -46.16 78.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.294 0.952 . . . . 0.0 112.502 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.0 -56.92 13.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.545 1.138 . . . . 0.0 111.964 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.88 -48.28 82.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.129 0.972 . . . . 0.0 113.172 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -62.06 -38.43 88.75 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.149 -0.969 . . . . 0.0 112.18 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.41 72.21 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.82 0.736 . . . . 0.0 112.037 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.2 -31.84 73.21 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.444 1.02 . . . . 0.0 113.119 175.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -71.47 -40.24 70.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.399 1.079 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -79.3 -5.07 53.62 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.205 1.402 . . . . 0.0 113.32 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.86 31.51 19.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.818 2.047 . . . . 0.0 112.372 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.3 -33.12 29.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.497 1.519 . . . . 0.0 113.214 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 52.75 16.31 0.66 Allowed 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 126.887 2.075 . . . . 0.0 115.365 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -158.68 163.54 36.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.825 1.65 . . . . 0.0 111.498 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.4 mm -131.71 133.84 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.65 1.98 . . . . 0.0 107.857 168.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.66 -55.63 4.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 0.0 109.026 168.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -148.31 160.37 43.05 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 p -129.92 113.53 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.911 2.484 . . . . 0.0 110.402 173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 t -89.47 125.14 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.771 1.629 . . . . 0.0 110.123 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.19 122.0 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.855 1.262 . . . . 0.0 111.05 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.2 122.49 6.2 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.808 1.67 . . . . 0.0 111.72 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mt -125.8 122.21 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.204 1.402 . . . . 0.0 109.142 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.66 136.23 49.12 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.318 0.961 . . . . 0.0 112.738 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -68.37 -12.61 61.38 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.443 -1.034 . . . . 0.0 113.319 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -110.9 0.89 17.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.572 1.949 . . . . 0.0 114.21 173.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 m -70.96 -9.01 57.14 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.54 19.74 4.4 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.05 2.14 . . . . 0.0 115.459 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.79 136.39 54.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.789 1.236 . . . . 0.0 111.445 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -74.89 86.87 2.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.42 0.688 . . . . 0.0 109.672 163.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -58.67 -31.91 68.62 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.656 -1.277 . . . . 0.0 113.899 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.1 t -60.85 -44.94 96.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.631 1.572 . . . . 0.0 111.952 170.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.77 -49.06 79.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.901 0.88 . . . . 0.0 110.171 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.66 -51.33 67.6 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.75 -39.67 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -64.3 -30.3 71.35 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.03 -47.63 61.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.947 1.299 . . . . 0.0 110.805 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -52.13 -49.44 63.7 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.68 -0.637 . . . . 0.0 112.461 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.6 -24.77 67.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.22 1.808 . . . . 0.0 113.71 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.0 m -75.05 -63.47 1.26 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 170.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -77.35 -4.86 47.28 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -167.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -21.59 13.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.414 1.486 . . . . 0.0 114.864 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.32 -22.28 64.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.938 1.695 . . . . 0.0 114.237 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.62 -15.3 51.0 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.421 1.089 . . . . 0.0 113.347 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -131.04 -174.83 3.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.536 1.934 . . . . 0.0 111.01 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.7 tp -110.92 -41.86 4.14 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.631 1.572 . . . . 0.0 111.822 169.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -60.9 -23.44 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.818 1.247 . . . . 0.0 112.714 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.1 m -78.31 -28.67 47.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.221 1.409 . . . . 0.0 113.295 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -71.53 -11.68 60.99 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -124.77 7.48 8.13 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.754 1.622 . . . . 0.0 113.674 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.24 170.03 16.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.483 1.513 . . . . 0.0 113.313 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.4 mt -128.17 152.81 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.936 1.694 . . . . 0.0 109.885 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tt -112.79 111.09 21.62 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.915 1.286 . . . . 0.0 110.693 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.11 96.95 10.05 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.434 1.094 . . . . 0.0 111.579 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.17 107.79 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.213 1.005 . . . . 0.0 109.933 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.0 t -93.96 117.91 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.499 1.52 . . . . 0.0 109.953 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.46 97.49 2.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.016 1.326 . . . . 0.0 110.816 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -77.96 116.08 18.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.423 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.66 140.21 58.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.419 0.688 . . . . 0.0 110.939 174.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.03 161.04 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.773 1.229 . . . . 0.0 111.628 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -152.08 140.67 20.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.676 0.79 . . . . 0.0 112.234 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.44 112.69 24.61 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.106 2.162 . . . . 0.0 111.611 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -91.93 154.18 19.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.232 0.613 . . . . 0.0 111.759 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.9 t -79.18 157.58 27.85 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.796 0.808 . . . . 0.0 111.826 166.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -60.55 -65.13 0.74 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.934 2.094 . . . . 0.0 114.65 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -131.24 58.12 1.73 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.558 1.543 . . . . 0.0 110.808 -169.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.02 -156.06 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.555 1.942 . . . . 0.0 111.383 -162.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -139.6 4.11 2.13 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -122.05 159.02 27.92 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.972 1.309 . . . . 0.0 114.228 -172.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.23 133.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 128.282 2.633 . . . . 0.0 109.594 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -138.26 -175.82 4.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.032 1.733 . . . . 0.0 112.616 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -113.94 145.72 34.13 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 125.226 1.41 . . . . 0.0 113.455 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.09 104.85 1.28 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.208 3.272 . . . . 0.0 112.324 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -130.52 -60.3 1.0 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.992 1.717 . . . . 0.0 111.074 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.41 168.17 18.03 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.207 1.003 . . . . 0.0 112.851 170.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.74 -67.66 0.67 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.575 1.55 . . . . 0.0 111.697 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.75 -29.67 70.86 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.505 1.122 . . . . 0.0 113.28 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -117.13 24.73 10.98 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.664 2.386 . . . . 0.0 112.169 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.51 28.38 1.78 Allowed Glycine 0 CA--C 1.537 1.431 0 C-N-CA 127.173 2.321 . . . . 0.0 114.517 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.05 161.32 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 126.76 2.024 . . . . 0.0 112.438 174.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.24 146.15 54.95 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.538 1.161 . . . . 0.0 111.697 171.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.01 -42.44 84.95 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.757 0.823 . . . . 0.0 111.773 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -76.12 -43.81 41.43 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.711 0.804 . . . . 0.0 111.762 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.17 121.56 27.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.229 1.412 . . . . 0.0 112.211 -175.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -78.62 60.95 2.83 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.43 -1.419 . . . . 0.0 114.134 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 m -139.23 151.44 46.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.748 2.019 . . . . 0.0 111.15 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -86.67 18.82 3.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.5 1.92 . . . . 0.0 114.31 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.54 -2.6 6.83 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.447 1.899 . . . . 0.0 115.951 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.8 154.4 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.865 1.666 . . . . 0.0 114.357 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.59 155.85 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.763 1.625 . . . . 0.0 112.55 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.17 107.59 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.842 1.257 . . . . 0.0 109.518 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.46 -10.83 47.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.128 0.971 . . . . 0.0 112.692 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -160.71 131.92 5.61 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.507 1.923 . . . . 0.0 107.616 -171.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.76 16.04 76.24 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 123.4 0.524 . . . . 0.0 114.084 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.51 -42.38 87.42 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 111.973 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.35 161.54 37.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.382 1.873 . . . . 0.0 111.441 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.6 ptm -78.93 153.3 30.54 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.904 0.881 . . . . 0.0 112.516 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -149.11 153.82 38.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.205 1.802 . . . . 0.0 111.926 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.84 148.84 45.88 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.022 161.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -115.12 -58.93 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.45 1.1 . . . . 0.0 112.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.0 t -160.66 175.66 12.41 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.042 1.337 . . . . 0.0 111.376 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 mt -121.51 167.3 13.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.89 135.55 49.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.41 1.884 . . . . 0.0 108.736 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.2 mtt -123.24 138.48 54.62 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.996 1.718 . . . . 0.0 109.667 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.21 167.16 10.67 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.55 0.74 . . . . 0.0 112.428 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 61.7 -10.27 0.07 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.432 2.693 . . . . 0.0 116.986 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 126.37 1.868 . . . . 0.0 113.639 -176.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -135.31 18.61 3.39 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.318 1.447 . . . . 0.0 113.599 -175.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 78.8 mtm -61.29 118.66 7.18 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.033 1.333 . . . . 0.0 112.356 -177.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -53.82 -32.34 52.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.114 1.365 . . . . 0.0 113.775 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.2 -33.9 63.44 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.402 1.881 . . . . 0.0 113.439 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.58 -12.31 10.96 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.981 1.312 . . . . 0.0 113.961 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.4 t -55.68 -48.33 75.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.909 0.884 . . . . 0.0 110.935 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -43.4 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.865 0.866 . . . . 0.0 113.122 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.35 -58.13 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.662 1.985 . . . . 0.0 110.829 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -56.83 -41.44 77.84 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.858 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -60.75 -49.78 76.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.513 1.125 . . . . 0.0 112.128 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.16 -49.57 73.62 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.184 0.994 . . . . 0.0 111.479 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.74 -47.03 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.409 1.083 . . . . 0.0 111.136 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.44 80.0 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.705 1.202 . . . . 0.0 112.617 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.3 mt -58.13 -50.88 71.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.718 1.207 . . . . 0.0 111.567 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.8 m -55.02 -47.5 74.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.66 0.784 . . . . 0.0 112.401 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -57.48 -52.62 64.65 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.093 0.957 . . . . 0.0 111.923 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.31 -47.34 85.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.31 1.044 . . . . 0.0 112.842 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -62.1 -42.0 98.77 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.497 -0.752 . . . . 0.0 111.88 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.62 82.74 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.644 -0.66 . . . . 0.0 112.692 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -32.59 74.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.854 1.206 . . . . 0.0 112.811 174.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -74.68 -38.14 62.49 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.973 0.909 . . . . 0.0 111.334 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -80.82 -1.61 43.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.45 1.5 . . . . 0.0 113.123 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 56.91 24.79 9.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.22 2.208 . . . . 0.0 113.179 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.54 -37.89 49.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.126 1.77 . . . . 0.0 112.423 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.7 m80 52.7 13.61 0.35 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.485 2.314 . . . . 0.0 116.092 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.46 166.3 27.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.807 2.843 . . . . 0.0 109.888 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.0 mm -126.41 141.69 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.351 1.86 . . . . 0.0 108.126 166.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -82.29 -67.08 0.81 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.547 1.139 . . . . 0.0 108.479 168.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -140.39 165.35 27.67 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.375 1.47 . . . . 0.0 113.132 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.33 141.27 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 127.464 2.306 . . . . 0.0 109.75 165.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.93 126.04 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.97 1.708 . . . . 0.0 108.961 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.91 123.97 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.313 1.045 . . . . 0.0 111.958 -167.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.29 118.27 5.04 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.387 1.47 . . . . 0.0 112.175 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -115.93 125.65 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.198 1.399 . . . . 0.0 108.655 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.25 143.57 46.3 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.193 0.425 . . . . 0.0 112.784 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.27 -14.39 60.61 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.454 -1.027 . . . . 0.0 112.815 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -116.45 7.02 13.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.858 2.063 . . . . 0.0 114.052 174.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -69.7 -18.1 63.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 112.71 171.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.89 0.77 0.08 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 129.241 3.017 . . . . 0.0 117.682 171.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 ptp -68.19 154.12 42.36 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.625 1.17 . . . . 0.0 112.326 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -81.16 95.73 6.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.177 0.991 . . . . 0.0 110.877 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -50.62 -38.66 47.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.593 1.557 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 t -62.77 -49.67 74.07 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.971 1.708 . . . . 0.0 112.064 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.71 -47.32 86.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.844 0.858 . . . . 0.0 111.453 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.39 -57.14 11.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.639 1.176 . . . . 0.0 112.724 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.81 -42.7 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -63.09 -33.13 74.78 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.054 0.454 . . . . 0.0 111.754 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.6 71.11 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.385 1.074 . . . . 0.0 110.96 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.59 -53.31 39.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.41 -8.94 57.97 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -82.75 -60.5 2.15 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.546 1.538 . . . . 0.0 111.015 163.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.16 2.06 19.33 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -171.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -28.0 4.76 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.071 1.749 . . . . 0.0 114.117 172.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.16 -18.16 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.147 1.379 . . . . 0.0 114.571 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.99 -25.56 66.37 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.787 172.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -143.97 116.03 8.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.629 1.571 . . . . 0.0 111.754 -171.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.22 -28.34 66.59 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.852 -1.155 . . . . 0.0 113.985 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.02 -25.81 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.114 0.965 . . . . 0.0 112.706 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.4 t -81.67 -26.0 35.09 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.817 2.047 . . . . 0.0 112.979 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -65.34 -10.51 33.56 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.19 -1.94 9.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.081 1.752 . . . . 0.0 113.676 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.68 158.13 31.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.07 1.348 . . . . 0.0 112.972 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.8 mt -131.89 145.07 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.913 1.285 . . . . 0.0 110.044 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tp -116.24 116.94 28.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.822 1.649 . . . . 0.0 111.345 -172.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.38 105.27 15.49 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.572 1.949 . . . . 0.0 112.764 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.17 139.08 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.381 -0.824 . . . . 0.0 111.191 172.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.65 122.67 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 128.246 2.618 . . . . 0.0 109.003 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.65 106.56 6.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.603 1.161 . . . . 0.0 111.064 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -88.58 144.57 26.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.264 1.025 . . . . 0.0 112.521 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 169.13 17.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.649 1.58 . . . . 0.0 112.772 168.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.16 154.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.239 1.815 . . . . 0.0 110.459 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -142.27 134.81 28.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.438 1.095 . . . . 0.0 111.825 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.34 101.72 10.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 128.195 2.598 . . . . 0.0 111.145 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.9 149.33 28.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.404 1.882 . . . . 0.0 112.059 169.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 t -92.72 151.3 20.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.713 1.205 . . . . 0.0 113.1 174.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -62.25 -72.76 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.199 2.2 . . . . 0.0 114.018 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -113.69 55.44 0.72 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.156 1.783 . . . . 0.0 111.439 -171.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -138.31 -155.13 0.57 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.651 2.38 . . . . 0.0 110.656 -168.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 26.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.755 1.222 . . . . 0.0 112.797 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -146.77 154.43 41.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.268 1.027 . . . . 0.0 113.471 -166.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.07 148.14 25.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 126.608 1.963 . . . . 0.0 110.763 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -142.72 -174.89 4.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.63 1.572 . . . . 0.0 112.248 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -110.95 142.9 27.19 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.345 1.458 . . . . 0.0 111.445 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.08 123.54 10.44 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.007 2.472 . . . . 0.0 112.679 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -138.49 -68.18 0.45 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.536 1.534 . . . . 0.0 111.023 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.36 167.9 17.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.336 1.054 . . . . 0.0 113.24 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.96 -68.56 0.59 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.609 1.564 . . . . 0.0 112.107 178.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.32 -36.64 84.66 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.161 0.984 . . . . 0.0 112.624 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -106.44 24.65 12.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.203 2.601 . . . . 0.0 111.49 172.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.15 29.16 3.95 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 127.823 2.63 . . . . 0.0 114.315 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.6 m -62.78 165.69 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.407 1.483 . . . . 0.0 112.037 168.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.7 t -61.17 166.26 3.82 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.49 1.516 . . . . 0.0 112.692 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.19 -31.41 17.95 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 178.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -93.72 -62.78 1.29 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.954 1.302 . . . . 0.0 111.477 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.3 p -79.37 174.27 11.74 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.871 0.869 . . . . 0.0 110.737 162.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -124.35 46.65 2.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.743 -1.223 . . . . 0.0 113.043 -171.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.2 m -136.9 155.65 49.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.833 1.253 . . . . 0.0 111.618 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -87.7 14.94 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.395 1.878 . . . . 0.0 114.121 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -66.92 -1.49 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.462 1.905 . . . . 0.0 115.81 -172.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -58.52 152.46 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.938 1.295 . . . . 0.0 113.311 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 154.15 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.251 1.821 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mp -75.88 109.31 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.464 1.106 . . . . 0.0 108.629 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.1 t -91.34 -12.46 34.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.576 0.75 . . . . 0.0 112.022 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -160.01 131.72 6.1 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.619 1.968 . . . . 0.0 108.493 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.39 -11.16 39.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.791 1.186 . . . . 0.0 115.341 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -66.82 -33.82 76.46 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.568 1.547 . . . . 0.0 112.352 175.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -138.09 158.09 45.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.369 2.268 . . . . 0.0 110.8 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -78.9 168.62 19.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.377 1.071 . . . . 0.0 113.275 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -154.84 159.43 40.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.374 1.869 . . . . 0.0 112.868 171.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.42 152.72 41.82 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.214 -0.928 . . . . 0.0 110.179 163.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.9 mt -115.55 -55.72 2.41 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.048 1.339 . . . . 0.0 111.699 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 t -159.18 169.83 23.28 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.227 1.011 . . . . 0.0 112.259 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 167.34 14.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.428 1.491 . . . . 0.0 110.823 170.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -132.58 139.69 47.92 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.936 1.694 . . . . 0.0 110.311 170.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.4 mtt -134.96 123.0 22.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.847 2.059 . . . . 0.0 109.542 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.8 mt -137.53 157.65 46.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.89 1.276 . . . . 0.0 112.648 -175.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.98 -13.25 48.16 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.391 1.476 . . . . 0.0 114.26 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.473 0.705 0 C-N-CA 125.3 1.44 . . . . 0.0 112.495 -170.471 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.096 -0.402 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -63.86 -29.92 71.06 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -173.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.6 ttt 57.97 12.69 1.86 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.359 2.264 . . . . 0.0 116.073 172.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -62.6 -21.47 65.66 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.506 -1.371 . . . . 0.0 114.536 -172.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.59 -24.7 61.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.286 1.434 . . . . 0.0 114.332 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.81 -6.54 48.65 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -61.95 -53.84 50.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.851 0.861 . . . . 0.0 111.15 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.83 -41.92 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.291 1.036 . . . . 0.0 112.547 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.28 -61.5 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.472 1.909 . . . . 0.0 111.516 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.7 t -53.77 -42.23 68.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.612 1.165 . . . . 0.0 111.842 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -58.95 -53.96 52.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.374 1.07 . . . . 0.0 112.258 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.64 -53.62 52.3 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.924 0.889 . . . . 0.0 111.588 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.5 mt -55.83 -48.92 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.082 1.353 . . . . 0.0 110.938 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.11 -48.22 82.66 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.02 -53.72 54.48 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.231 1.012 . . . . 0.0 112.128 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -68.08 -32.59 73.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -177.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -58.75 -46.3 87.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.295 0.952 . . . . 0.0 111.346 167.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.58 -44.3 94.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.435 0.694 . . . . 0.0 111.816 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -61.71 -41.82 98.12 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.394 -0.816 . . . . 0.0 112.12 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.83 -48.74 75.57 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.586 -0.696 . . . . 0.0 112.319 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -63.82 -32.24 73.69 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.279 0.945 . . . . 0.0 112.977 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -71.59 -39.92 70.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.566 1.146 . . . . 0.0 111.179 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -82.88 -0.47 48.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.779 1.231 . . . . 0.0 113.245 172.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 57.57 27.57 14.33 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.895 2.078 . . . . 0.0 112.829 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.86 64.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.723 1.209 . . . . 0.0 113.308 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 56.23 2.25 0.08 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.025 2.53 . . . . 0.0 116.509 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -157.65 176.54 12.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.762 2.425 . . . . 0.0 111.294 165.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.33 141.46 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.098 1.759 . . . . 0.0 109.215 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.83 -49.7 7.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 110.353 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -152.1 158.29 42.77 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.059 1.344 . . . . 0.0 114.205 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -124.96 134.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 128.42 2.688 . . . . 0.0 109.216 157.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.38 123.02 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.011 1.724 . . . . 0.0 108.069 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.03 152.92 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.33 1.452 . . . . 0.0 110.573 -171.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -118.68 134.66 11.01 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.636 1.113 . . . . 0.0 111.585 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.0 mt -132.49 123.82 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.704 1.602 . . . . 0.0 108.728 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.18 146.0 50.04 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.213 0.435 . . . . 0.0 112.938 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.21 -11.25 58.97 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.225 -1.162 . . . . 0.0 112.906 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -112.75 3.12 16.32 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.424 1.89 . . . . 0.0 114.37 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 m -69.76 -18.37 63.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.941 0.896 . . . . 0.0 113.22 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.85 16.7 2.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 127.39 2.276 . . . . 0.0 116.097 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.5 mtt -71.27 135.06 47.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.161 1.384 . . . . 0.0 111.089 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -76.96 95.49 4.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.645 0.778 . . . . 0.0 109.949 171.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -56.0 -35.49 66.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -48.65 80.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.445 1.498 . . . . 0.0 111.734 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.85 -49.04 79.09 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.31 1.044 . . . . 0.0 111.705 175.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -58.67 -53.17 61.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.612 0.765 . . . . 0.0 112.955 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.06 -40.14 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.91 1.232 . . . . 0.0 113.1 174.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -63.57 -30.44 71.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.391 0.542 . . . . 0.0 111.852 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.73 70.15 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.932 173.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -55.83 -49.81 72.26 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.528 -0.732 . . . . 0.0 112.369 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.8 -23.59 67.32 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.333 1.453 . . . . 0.0 113.644 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.2 m -74.67 -60.54 2.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.871 1.268 . . . . 0.0 111.088 169.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.22 -8.53 56.86 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -48.6 -30.05 4.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.565 1.546 . . . . 0.0 114.056 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.6 -27.89 59.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.53 2.332 . . . . 0.0 114.21 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.18 -14.67 56.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.361 1.464 . . . . 0.0 113.638 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 m -135.38 169.07 18.05 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.236 1.814 . . . . 0.0 110.917 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -82.82 -48.26 10.98 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.826 -1.171 . . . . 0.0 111.438 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m -66.79 -25.37 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.632 1.573 . . . . 0.0 113.745 -169.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.67 -26.0 59.55 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.897 1.279 . . . . 0.0 113.263 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.08 -21.94 64.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -165.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.77 7.73 10.5 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.4 1.88 . . . . 0.0 113.857 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.08 164.86 21.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.577 1.151 . . . . 0.0 112.715 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.8 mm -125.86 139.59 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.955 1.702 . . . . 0.0 109.673 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.84 108.27 16.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.125 1.37 . . . . 0.0 111.003 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.37 115.15 29.97 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.835 1.654 . . . . 0.0 112.59 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.5 mt -104.68 101.24 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.982 1.713 . . . . 0.0 111.487 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -74.67 122.46 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 111.432 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.28 103.44 2.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.06 1.344 . . . . 0.0 110.818 168.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -99.51 144.95 28.01 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.972 1.709 . . . . 0.0 111.943 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -74.7 169.86 16.99 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.955 -1.091 . . . . 0.0 113.155 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 m -123.06 158.27 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.095 1.358 . . . . 0.0 112.935 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -154.58 143.51 20.96 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.4 1.08 . . . . 0.0 111.3 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.32 103.5 10.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.776 2.03 . . . . 0.0 110.506 -174.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -81.39 152.37 27.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.94 0.896 . . . . 0.0 112.788 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.1 t -78.67 155.04 29.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.655 0.782 . . . . 0.0 111.443 165.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -62.9 -63.0 1.34 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.362 1.865 . . . . 0.0 114.424 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.66 58.13 1.58 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.706 1.602 . . . . 0.0 111.172 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.17 -155.59 0.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.771 2.028 . . . . 0.0 111.337 -163.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -146.78 25.7 1.16 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.79 1.236 . . . . 0.0 112.946 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -140.46 149.66 42.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.851 1.261 . . . . 0.0 112.707 -172.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.34 152.29 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 126.57 1.948 . . . . 0.0 110.544 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.97 -178.59 6.01 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.828 1.251 . . . . 0.0 112.969 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -99.55 141.4 22.75 Favored Pre-proline 0 N--CA 1.48 1.056 0 C-N-CA 125.311 1.444 . . . . 0.0 112.195 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.98 120.88 7.37 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.978 2.452 . . . . 0.0 111.729 -174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -143.67 -65.47 0.37 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.863 1.265 . . . . 0.0 112.01 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.4 167.66 16.1 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.554 1.142 . . . . 0.0 113.116 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.36 -69.29 0.7 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.482 1.513 . . . . 0.0 111.738 177.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -67.84 -41.72 82.53 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.828 0.851 . . . . 0.0 111.98 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -98.67 29.55 3.67 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.422 2.289 . . . . 0.0 112.065 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.54 24.93 4.05 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 127.081 2.277 . . . . 0.0 114.715 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 m -64.79 156.38 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.89 1.676 . . . . 0.0 112.679 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.4 t -69.24 148.82 49.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.318 1.447 . . . . 0.0 111.892 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -69.8 -33.4 72.3 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.526 -0.734 . . . . 0.0 112.513 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -81.97 -56.62 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.691 1.196 . . . . 0.0 112.372 173.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -112.91 128.49 56.48 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.381 1.472 . . . . 0.0 111.435 -173.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -80.14 56.29 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.434 -1.416 . . . . 0.0 113.578 -168.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.8 m -136.25 149.43 48.51 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.087 2.155 . . . . 0.0 109.914 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -105.91 26.0 10.2 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.584 1.553 . . . . 0.0 113.291 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.83 1.1 2.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.684 2.794 . . . . 0.0 115.726 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.71 149.67 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 114.004 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.95 154.2 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.738 1.615 . . . . 0.0 112.14 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.9 mt -78.27 108.11 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.207 1.003 . . . . 0.0 108.937 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -86.85 -9.53 55.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.591 1.157 . . . . 0.0 112.677 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -157.66 126.5 5.72 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.035 2.134 . . . . 0.0 107.83 -169.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.14 18.08 78.87 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.72 -38.32 81.33 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.368 1.467 . . . . 0.0 111.788 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.4 166.77 27.11 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.716 1.606 . . . . 0.0 112.365 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.63 150.74 45.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.185 1.394 . . . . 0.0 112.583 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -154.9 154.88 33.34 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.697 1.599 . . . . 0.0 112.01 172.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.8 pp -63.9 152.42 39.85 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 122.111 -0.368 . . . . 0.0 111.133 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.8 mt -113.99 -57.8 2.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.718 1.207 . . . . 0.0 110.478 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.9 m -151.72 164.2 37.49 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.926 1.69 . . . . 0.0 111.46 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.4 mt -115.99 170.3 8.59 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.978 0.911 . . . . 0.0 110.628 161.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -140.54 122.21 15.28 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.35 1.86 . . . . 0.0 108.316 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 18.8 ptp -135.13 111.59 9.83 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.155 -0.966 . . . . 0.0 110.998 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.03 159.69 33.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.985 1.314 . . . . 0.0 112.319 -175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -140.79 -68.77 0.4 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.648 1.179 . . . . 0.0 112.138 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 124.838 1.255 . . . . 0.0 111.77 -179.096 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -66.22 93.83 0.23 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.752 1.621 . . . . 0.0 113.071 -177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.67 174.2 4.48 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.303 1.441 . . . . 0.0 113.055 172.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -129.28 -69.67 0.69 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.259 1.423 . . . . 0.0 111.229 171.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.47 -33.51 74.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -85.54 -3.67 58.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.58 1.152 . . . . 0.0 114.052 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.0 m -62.36 -33.74 75.33 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 t -68.19 -52.23 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.151 0.887 . . . . 0.0 110.173 167.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.59 -62.61 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.805 1.642 . . . . 0.0 111.149 -167.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m -59.37 -35.0 73.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.069 1.348 . . . . 0.0 112.86 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 t -63.28 -43.28 98.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.229 0.612 . . . . 0.0 111.536 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.24 -41.58 97.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.759 0.824 . . . . 0.0 112.906 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.91 -50.84 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 118.52 0.6 . . . . 0.0 110.527 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.84 89.42 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.017 0.927 . . . . 0.0 112.738 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.74 -49.96 75.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.458 1.503 . . . . 0.0 111.376 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.65 -40.09 95.97 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -58.0 -45.94 86.02 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.292 -0.88 . . . . 0.0 111.457 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.11 -47.92 82.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.267 1.427 . . . . 0.0 111.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.06 -33.35 75.56 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.906 -1.121 . . . . 0.0 112.827 177.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.75 64.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -176.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -79.72 -31.6 41.15 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.384 0.993 . . . . 0.0 113.054 167.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -73.72 -44.36 56.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.35 1.06 . . . . 0.0 111.323 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -84.18 -5.18 59.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.692 1.597 . . . . 0.0 113.091 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 55.22 30.71 15.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 112.685 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.1 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.956 1.702 . . . . 0.0 112.613 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.2 m170 53.57 3.52 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 128.482 2.713 . . . . 0.0 117.295 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -144.87 166.21 25.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.289 2.636 . . . . 0.0 110.119 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 mm -115.28 156.85 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.689 1.595 . . . . 0.0 110.518 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -114.76 -49.41 2.81 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.354 1.461 . . . . 0.0 110.813 164.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -149.61 162.89 39.31 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.28 147.09 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.648 1.579 . . . . 0.0 109.874 155.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -126.38 108.39 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.191 1.797 . . . . 0.0 108.714 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.2 p -97.97 141.57 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.148 0.979 . . . . 0.0 111.729 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.6 120.41 6.71 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.558 2.028 . . . . 0.0 111.053 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -126.46 127.1 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.17 144.23 48.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.46 0.552 . . . . 0.0 112.384 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -78.47 -3.34 42.98 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.105 -1.233 . . . . 0.0 112.849 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -113.21 -5.72 13.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.267 2.627 . . . . 0.0 113.554 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -72.25 -14.47 61.78 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.31 -1.54 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.208 2.603 . . . . 0.0 117.19 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.84 112.76 5.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.536 1.534 . . . . 0.0 110.462 171.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -62.21 108.52 1.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.546 1.138 . . . . 0.0 112.717 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -53.03 -36.02 60.09 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.496 1.518 . . . . 0.0 114.14 173.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -66.01 -42.76 89.28 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.519 1.127 . . . . 0.0 111.306 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.22 -53.02 62.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.094 0.958 . . . . 0.0 110.352 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -54.54 -54.97 34.07 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.95 -42.48 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.587 -0.696 . . . . 0.0 112.682 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -61.15 -34.11 74.49 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.64 75.26 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.72 0.808 . . . . 0.0 111.818 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -58.4 -44.98 89.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.219 1.007 . . . . 0.0 112.356 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.47 -25.07 68.09 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.272 1.429 . . . . 0.0 113.615 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.5 m -74.61 -59.58 2.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.839 0.856 . . . . 0.0 111.129 164.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -14.1 62.41 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -168.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -53.15 -23.9 9.31 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.658 1.583 . . . . 0.0 114.956 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.23 -23.66 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.914 1.685 . . . . 0.0 113.738 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.1 -25.6 66.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.013 0.925 . . . . 0.0 112.917 172.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -85.24 177.46 7.84 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.659 1.584 . . . . 0.0 112.623 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.37 -42.37 6.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.497 1.119 . . . . 0.0 111.384 154.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -77.79 -33.32 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.112 1.365 . . . . 0.0 112.191 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -76.87 -15.53 59.67 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.566 0.746 . . . . 0.0 112.526 -169.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.28 88.56 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.772 0.715 . . . . 0.0 112.564 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -95.64 73.99 3.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.009 1.324 . . . . 0.0 110.298 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.98 165.74 26.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.801 1.64 . . . . 0.0 112.098 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mm -135.74 142.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.301 1.841 . . . . 0.0 108.684 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tp -115.58 107.9 15.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.477 1.911 . . . . 0.0 109.646 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -91.67 144.88 25.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.915 1.286 . . . . 0.0 111.884 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.9 mm -104.78 142.45 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.275 1.43 . . . . 0.0 110.758 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.97 120.87 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.791 2.036 . . . . 0.0 109.592 171.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.33 100.0 3.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.762 1.225 . . . . 0.0 110.67 172.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.99 142.27 49.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.677 0.791 . . . . 0.0 111.597 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -63.45 156.96 24.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.296 0.638 . . . . 0.0 110.727 166.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.39 154.96 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.86 143.78 26.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.507 1.123 . . . . 0.0 110.132 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.66 111.37 17.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.189 1.796 . . . . 0.0 111.645 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.3 155.03 28.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.042 0.937 . . . . 0.0 112.795 166.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.1 t -80.49 158.6 25.81 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.877 0.871 . . . . 0.0 111.657 165.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -64.13 -65.32 0.69 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.659 1.983 . . . . 0.0 114.103 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -127.11 59.58 1.41 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.743 1.617 . . . . 0.0 111.019 -168.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.86 -157.91 0.83 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.046 2.139 . . . . 0.0 111.313 -164.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t -147.48 33.35 0.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.613 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -145.85 150.42 36.12 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.443 1.097 . . . . 0.0 113.066 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.62 150.42 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 126.469 1.908 . . . . 0.0 110.967 172.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.32 175.05 11.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.328 1.451 . . . . 0.0 112.482 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 143.54 26.8 Favored Pre-proline 0 N--CA 1.48 1.029 0 C-N-CA 124.537 1.135 . . . . 0.0 112.748 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.88 118.61 5.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.921 3.081 . . . . 0.0 112.223 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -141.44 -61.49 0.47 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.192 1.397 . . . . 0.0 112.411 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.37 157.93 30.59 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.013 0.925 . . . . 0.0 112.842 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -131.59 -40.02 1.11 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.38 -30.68 60.22 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.675 1.125 . . . . 0.0 112.417 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -103.44 -87.63 0.42 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.743 1.617 . . . . 0.0 110.545 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.82 10.39 58.38 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.512 0.965 . . . . 0.0 115.512 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.79 158.42 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.512 1.156 . . . . 0.0 112.519 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.75 147.61 53.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.33 1.052 . . . . 0.0 111.559 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.02 -43.7 86.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.778 0.831 . . . . 0.0 111.913 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -73.56 -56.17 5.37 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 p -114.36 124.12 51.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 111.82 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -79.21 60.1 2.96 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.366 -1.459 . . . . 0.0 113.588 -168.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.7 m -136.86 153.82 50.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.109 2.164 . . . . 0.0 110.773 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -97.45 14.06 27.66 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.711 1.604 . . . . 0.0 113.68 -172.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.18 -2.52 5.87 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.675 2.39 . . . . 0.0 116.353 -172.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.51 151.32 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.896 1.678 . . . . 0.0 113.92 -174.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.21 153.54 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.584 1.554 . . . . 0.0 112.453 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.73 115.85 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.143 1.377 . . . . 0.0 108.522 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -97.39 -8.11 30.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.968 1.307 . . . . 0.0 112.663 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.14 127.11 6.27 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.38 1.872 . . . . 0.0 108.891 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.77 18.21 77.59 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.433 1.016 . . . . 0.0 114.571 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.574 1.55 . . . . 0.0 112.783 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.96 156.83 45.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.317 1.847 . . . . 0.0 111.263 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.0 ptm -79.84 150.05 30.8 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.494 0.718 . . . . 0.0 112.352 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 mtp-105 -150.43 165.74 32.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.575 1.95 . . . . 0.0 110.487 171.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.62 158.64 9.69 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.295 -0.878 . . . . 0.0 112.729 162.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.91 -53.66 2.27 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.865 1.666 . . . . 0.0 111.265 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.4 p -149.47 162.44 40.13 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.991 1.316 . . . . 0.0 111.949 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.18 157.16 46.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.945 1.298 . . . . 0.0 110.116 175.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -139.72 144.75 37.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 111.62 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -125.86 168.22 14.15 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.091 1.756 . . . . 0.0 111.177 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 pp -125.8 163.19 23.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.968 1.307 . . . . 0.0 113.008 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -153.47 -58.21 0.13 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.332 1.453 . . . . 0.0 111.83 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 125.11 1.364 . . . . 0.0 112.498 178.132 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 p -142.61 149.64 39.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.193 1.397 . . . . 0.0 112.194 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -81.01 63.02 5.22 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.539 1.536 . . . . 0.0 112.296 -172.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -129.9 -61.16 1.0 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.439 1.896 . . . . 0.0 110.558 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.52 -27.89 67.97 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -75.98 -2.99 33.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -58.94 -61.18 2.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -55.49 -42.39 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.161 0.985 . . . . 0.0 112.434 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.9 t -57.51 -66.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 127.999 2.519 . . . . 0.0 111.746 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.6 t -52.39 -44.74 65.5 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.832 1.253 . . . . 0.0 112.162 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 m -59.77 -48.35 82.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.455 0.702 . . . . 0.0 112.812 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.86 -51.77 68.6 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.023 0.829 . . . . 0.0 112.738 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.56 -45.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.78 0.832 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.6 56.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.797 . . . . 0.0 112.419 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.87 -52.36 64.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.113 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.34 -35.52 80.57 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -58.0 -48.36 80.27 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.338 0.972 . . . . 0.0 111.38 168.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -65.47 -41.98 92.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.054 0.942 . . . . 0.0 112.296 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.28 -42.93 99.15 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.393 -0.817 . . . . 0.0 111.677 173.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.76 75.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.637 0.653 . . . . 0.0 112.177 -176.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -63.56 -34.23 77.35 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.01 -40.93 62.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.606 1.162 . . . . 0.0 111.318 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.54 -5.14 51.89 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.756 1.622 . . . . 0.0 113.152 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.2 31.36 18.22 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.801 2.041 . . . . 0.0 112.256 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -42.93 67.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.021 1.329 . . . . 0.0 112.307 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 48.42 26.82 1.23 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.473 1.909 . . . . 0.0 114.503 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -160.66 159.46 30.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 127.016 2.127 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.9 mt -134.99 142.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.377 1.871 . . . . 0.0 108.392 168.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -94.26 -65.32 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.073 1.349 . . . . 0.0 109.225 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -139.71 162.69 34.51 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.961 1.304 . . . . 0.0 113.432 172.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.42 127.68 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.931 1.693 . . . . 0.0 110.028 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 t -99.49 121.74 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.384 1.473 . . . . 0.0 110.393 -167.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 t -132.01 123.52 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.355 1.062 . . . . 0.0 111.329 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.34 120.56 5.91 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 126.229 1.871 . . . . 0.0 112.463 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mt -116.4 125.47 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.978 1.711 . . . . 0.0 108.526 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.39 141.22 46.87 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.704 0.668 . . . . 0.0 112.928 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.42 -15.6 63.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.323 -1.104 . . . . 0.0 113.269 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -106.28 2.28 26.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 114.13 173.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.0 t -63.46 -37.91 89.12 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.51 1.124 . . . . 0.0 112.45 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.06 10.36 0.59 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.341 2.257 . . . . 0.0 115.732 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.93 144.26 57.4 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.176 -0.952 . . . . 0.0 111.59 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.08 93.09 2.23 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.902 1.281 . . . . 0.0 111.528 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -53.11 -28.53 25.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.37 1.868 . . . . 0.0 114.616 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -57.8 -39.55 77.79 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.308 1.843 . . . . 0.0 112.854 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.67 -46.88 71.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.724 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -58.39 -52.83 63.98 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.271 0.357 . . . . 0.0 111.495 -172.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -44.09 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -63.89 -34.15 77.31 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.773 0.32 . . . . 0.0 111.45 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.97 62.01 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.177 -0.952 . . . . 0.0 111.721 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.25 -54.98 24.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.742 1.217 . . . . 0.0 111.18 171.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -27.3 60.99 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.9 m -56.07 -41.82 75.71 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.075 1.307 . . . . 0.0 112.168 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.24 17.06 4.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.162 . . . . 0.0 113.763 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -31.96 16.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.866 1.212 . . . . 0.0 113.391 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.85 -18.69 60.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.107 1.763 . . . . 0.0 114.218 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.26 -21.02 63.02 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.715 1.206 . . . . 0.0 113.655 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -146.0 128.77 16.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.954 1.301 . . . . 0.0 111.877 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.47 -32.29 68.62 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.15 -22.7 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.5 t -74.7 -24.16 58.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.004 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -60.14 -14.71 18.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.345 1.458 . . . . 0.0 114.772 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -111.48 -7.27 14.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.168 1.387 . . . . 0.0 113.959 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.03 148.29 46.0 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.024 0.93 . . . . 0.0 112.633 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.4 mt -130.84 150.09 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.16 1.784 . . . . 0.0 108.882 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 14.0 tp -85.83 139.76 31.0 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.219 -0.926 . . . . 0.0 111.539 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -116.83 88.77 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.258 1.423 . . . . 0.0 110.361 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.9 mt -71.81 117.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.767 1.627 . . . . 0.0 110.076 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.1 t -106.62 124.61 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.976 1.71 . . . . 0.0 110.084 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -71.69 93.46 1.27 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.389 1.476 . . . . 0.0 111.302 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -75.19 138.84 42.24 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.891 1.276 . . . . 0.0 111.788 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.75 161.92 19.76 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.673 -0.642 . . . . 0.0 111.051 168.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.07 152.77 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.929 1.291 . . . . 0.0 111.822 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -151.59 144.46 24.44 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.32 97.02 5.22 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.1 2.16 . . . . 0.0 111.583 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -68.87 154.11 42.6 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.352 1.461 . . . . 0.0 112.021 165.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 6.1 t -79.92 163.09 24.59 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.685 0.755 . . . . 0.0 111.573 161.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.99 -69.38 0.31 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.218 1.807 . . . . 0.0 114.355 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.63 58.88 1.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.696 1.598 . . . . 0.0 110.977 -167.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.8 OUTLIER -140.88 -155.4 0.58 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.483 1.913 . . . . 0.0 111.85 -160.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -152.49 61.65 0.81 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.525 1.13 . . . . 0.0 110.387 163.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -152.93 154.51 35.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.297 1.039 . . . . 0.0 113.134 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 p -152.69 140.27 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 127.302 2.241 . . . . 0.0 110.705 171.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -173.25 3.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.17 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -93.59 153.06 41.29 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.399 1.08 . . . . 0.0 111.325 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.46 -175.64 2.79 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.31 2.673 . . . . 0.0 112.334 174.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 58.02 81.83 0.14 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.451 2.3 . . . . 0.0 113.181 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -147.87 162.18 39.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.306 169.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 pp -113.4 -25.96 8.56 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.03 -13.81 17.39 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.323 1.049 . . . . 0.0 113.134 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.44 52.17 1.75 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.212 1.805 . . . . 0.0 112.209 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.4 -35.0 68.64 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.322 -0.861 . . . . 0.0 113.05 173.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.7 m -75.12 162.87 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.656 1.582 . . . . 0.0 112.505 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.52 135.14 57.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.2 1.0 . . . . 0.0 109.564 165.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.18 -25.03 65.05 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.347 -0.846 . . . . 0.0 113.082 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -85.66 -56.97 3.24 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.626 1.17 . . . . 0.0 112.274 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.9 p -113.08 114.16 26.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.318 1.447 . . . . 0.0 111.419 -176.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -76.56 68.41 2.85 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -162.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.0 m -140.61 155.2 46.62 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.599 2.359 . . . . 0.0 110.196 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -92.3 19.87 6.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.19 1.396 . . . . 0.0 113.515 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.08 -3.1 11.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.796 2.038 . . . . 0.0 115.708 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -52.35 144.92 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.288 1.435 . . . . 0.0 113.267 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.69 149.79 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.498 1.519 . . . . 0.0 112.713 -178.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.81 103.13 5.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.164 1.385 . . . . 0.0 108.071 -173.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.3 t -88.76 -9.14 52.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.585 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -151.98 117.62 5.39 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.678 1.991 . . . . 0.0 108.163 -168.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.84 78.1 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 115.95 1.14 . . . . 0.0 115.95 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.91 -34.64 76.43 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.932 1.366 . . . . 0.0 112.379 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -134.76 157.37 46.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.664 1.986 . . . . 0.0 109.937 169.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.4 ptm -75.03 151.71 38.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 112.446 171.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -150.32 157.62 43.26 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.685 1.594 . . . . 0.0 111.828 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.85 156.86 8.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.799 165.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.28 -50.58 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.706 1.603 . . . . 0.0 112.052 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 t -160.3 179.24 8.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.607 1.563 . . . . 0.0 111.337 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.73 165.25 27.77 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.408 1.483 . . . . 0.0 110.7 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.62 122.34 25.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.49 1.516 . . . . 0.0 109.633 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 77.9 mtm -126.2 100.52 6.35 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.875 1.67 . . . . 0.0 110.111 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.93 101.6 0.06 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.146 1.778 . . . . 0.0 112.812 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.84 -17.81 62.11 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.039 1.336 . . . . 0.0 113.951 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.471 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 111.697 179.744 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 p -73.93 -21.68 59.95 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -62.33 120.33 10.8 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.366 1.466 . . . . 0.0 111.46 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -54.59 -35.56 63.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.277 1.031 . . . . 0.0 113.266 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.06 -27.72 61.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.259 1.824 . . . . 0.0 113.778 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.92 -14.26 14.6 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.941 1.297 . . . . 0.0 113.702 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -58.09 -51.23 70.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.332 1.053 . . . . 0.0 111.148 170.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -54.57 -47.49 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.032 0.933 . . . . 0.0 112.153 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.84 -62.34 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 127.026 2.131 . . . . 0.0 111.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -57.96 -39.0 77.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.967 1.307 . . . . 0.0 112.236 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 t -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.795 0.838 . . . . 0.0 111.6 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.76 -46.75 88.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.945 0.898 . . . . 0.0 112.768 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.91 -50.49 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.026 1.33 . . . . 0.0 111.544 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.14 83.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.145 0.978 . . . . 0.0 112.933 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -59.81 -50.44 73.78 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.966 1.306 . . . . 0.0 111.964 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 t -63.46 -40.08 96.17 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.544 0.611 . . . . 0.0 112.472 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -55.35 -52.56 63.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.992 0.917 . . . . 0.0 112.491 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.88 -45.53 89.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.761 0.824 . . . . 0.0 112.803 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -61.14 -43.2 99.25 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.386 -0.821 . . . . 0.0 111.766 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.29 73.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.726 -0.609 . . . . 0.0 112.37 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -64.29 -31.94 73.34 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.228 0.922 . . . . 0.0 113.125 175.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -72.95 -37.85 66.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.293 1.037 . . . . 0.0 111.173 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.08 -1.47 44.36 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.84 1.656 . . . . 0.0 113.134 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 57.04 25.19 10.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.341 2.256 . . . . 0.0 113.232 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.08 48.98 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.709 1.604 . . . . 0.0 112.778 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.2 m80 54.93 6.39 0.13 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 127.887 2.475 . . . . 0.0 117.139 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -145.8 166.24 26.5 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 128.271 2.628 . . . . 0.0 110.068 162.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.7 mt -107.48 155.89 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.961 1.704 . . . . 0.0 108.346 170.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -95.36 -60.43 1.67 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.862 -1.149 . . . . 0.0 109.403 159.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -152.34 162.31 41.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 112.846 174.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.16 153.05 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 126.463 1.905 . . . . 0.0 108.884 163.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.3 t -128.67 123.55 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.897 1.279 . . . . 0.0 109.046 -174.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 p -113.38 149.55 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.678 1.191 . . . . 0.0 111.202 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.69 99.18 0.84 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 126.471 1.986 . . . . 0.0 109.784 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mt -95.64 127.18 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.295 1.038 . . . . 0.0 109.371 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.48 136.62 44.83 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 122.326 0.959 . . . . 0.0 113.232 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -60.44 -23.65 64.58 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.183 2.193 . . . . 0.0 114.398 174.757 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -112.19 2.13 16.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.116 1.766 . . . . 0.0 113.738 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.5 m -65.51 -28.52 69.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.238 1.015 . . . . 0.0 113.276 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.87 7.05 0.25 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.713 2.405 . . . . 0.0 116.49 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.9 mtm -71.65 130.12 40.38 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.308 . . . . 0.0 110.678 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -65.26 102.27 0.64 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.698 1.199 . . . . 0.0 111.91 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -55.2 -35.85 65.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.539 1.135 . . . . 0.0 113.529 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -62.25 -44.13 97.25 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.7 1.6 . . . . 0.0 111.613 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -54.12 49.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.154 0.982 . . . . 0.0 110.262 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -55.05 -52.62 62.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.65 0.78 . . . . 0.0 113.103 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.39 -40.68 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.095 -1.003 . . . . 0.0 113.447 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -62.63 -33.68 75.51 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.886 0.312 . . . . 0.0 111.563 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.73 68.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.963 0.905 . . . . 0.0 111.695 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.81 -45.69 70.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.731 0.812 . . . . 0.0 112.501 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.78 -53.24 60.29 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.46 1.104 . . . . 0.0 112.027 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.3 m -50.56 -45.55 57.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.285 1.034 . . . . 0.0 112.16 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -87.63 18.93 3.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.13 -29.41 9.03 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.573 1.078 . . . . 0.0 113.904 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.56 -15.15 57.38 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.131 2.172 . . . . 0.0 114.716 -178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.32 -14.02 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.283 -0.886 . . . . 0.0 113.153 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -130.92 174.73 9.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.935 2.494 . . . . 0.0 109.644 168.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tp -99.91 -34.14 10.24 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.906 -1.121 . . . . 0.0 113.039 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.05 -21.82 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.89 0.876 . . . . 0.0 112.739 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.3 m -75.6 -12.19 60.16 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.502 1.121 . . . . 0.0 112.704 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.51 66.56 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.4 84.23 2.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.043 1.737 . . . . 0.0 109.937 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.48 166.36 30.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 112.686 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.9 mt -131.48 147.85 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 127.316 2.247 . . . . 0.0 108.02 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tp -122.44 102.02 7.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.72 1.208 . . . . 0.0 110.109 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.52 133.57 34.45 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.355 1.862 . . . . 0.0 112.095 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.3 105.03 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.756 1.222 . . . . 0.0 111.026 -172.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.1 t -80.23 122.83 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.037 1.335 . . . . 0.0 109.825 167.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.44 109.16 5.94 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 110.478 163.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.9 174.83 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.88 143.98 48.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.591 1.956 . . . . 0.0 110.617 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.23 156.75 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.356 1.062 . . . . 0.0 113.431 -172.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -158.01 136.02 10.75 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.151 1.38 . . . . 0.0 111.602 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -124.0 109.26 13.32 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.073 1.749 . . . . 0.0 110.8 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.95 150.73 27.54 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.946 0.898 . . . . 0.0 112.673 172.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.411 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.6 t -78.83 156.69 28.6 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 121.907 0.86 . . . . 0.0 111.416 167.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -62.39 -65.9 0.62 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.777 2.031 . . . . 0.0 114.791 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.52 60.2 1.58 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.462 1.505 . . . . 0.0 111.013 -170.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.411 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 3.1 t -136.21 -150.77 0.38 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.614 1.966 . . . . 0.0 111.736 -161.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 t -146.1 17.75 1.39 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.99 1.316 . . . . 0.0 113.123 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -140.09 150.81 44.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.475 1.11 . . . . 0.0 113.659 -166.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.52 149.73 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.955 2.102 . . . . 0.0 110.514 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -145.82 176.91 9.31 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -104.87 121.41 46.82 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 126.141 1.776 . . . . 0.0 111.12 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -62.68 110.96 1.21 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.46 3.44 . . . . 0.0 112.472 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -134.72 -63.3 0.71 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.823 1.649 . . . . 0.0 111.379 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 125.63 25.18 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.78 1.232 . . . . 0.0 112.673 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.434 ' H ' HD23 ' A' ' 88' ' ' LEU . 1.9 pt? -81.48 -54.18 5.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.766 1.226 . . . . 0.0 112.647 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.5 -24.96 56.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.351 1.06 . . . . 0.0 113.542 -173.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -129.43 27.06 5.34 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.85 1.66 . . . . 0.0 113.402 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.1 16.04 1.22 Allowed Glycine 0 CA--C 1.54 1.647 0 C-N-CA 126.399 1.952 . . . . 0.0 116.234 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 m -62.55 173.69 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.501 1.92 . . . . 0.0 112.327 168.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.82 158.15 6.71 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.819 0.818 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.0 -41.8 63.92 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.416 -0.802 . . . . 0.0 110.831 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -84.55 -60.02 2.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.586 1.154 . . . . 0.0 112.541 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -72.14 179.06 3.48 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.448 1.499 . . . . 0.0 110.65 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -124.12 34.2 5.1 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.904 -1.122 . . . . 0.0 112.801 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m -131.45 156.21 46.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.817 1.247 . . . . 0.0 111.346 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -90.89 30.19 1.24 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.183 1.793 . . . . 0.0 112.182 174.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.23 -7.28 29.09 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.317 1.847 . . . . 0.0 114.628 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.84 154.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.976 1.71 . . . . 0.0 113.619 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.24 153.7 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.727 1.611 . . . . 0.0 111.623 173.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 mp -69.36 119.93 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 125.071 1.348 . . . . 0.0 108.096 177.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -102.81 -11.71 18.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.007 0.923 . . . . 0.0 111.411 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -159.42 132.6 7.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.371 1.868 . . . . 0.0 108.856 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.35 -14.43 39.54 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.374 0.988 . . . . 0.0 114.569 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.82 -47.5 71.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.446 1.898 . . . . 0.0 112.803 171.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -132.85 156.02 47.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.079 1.351 . . . . 0.0 112.494 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.5 ptm -77.52 157.17 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.055 1.342 . . . . 0.0 113.055 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -145.11 159.49 42.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.353 1.861 . . . . 0.0 110.852 167.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.91 150.93 47.83 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.823 -0.548 . . . . 0.0 110.649 160.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.54 -41.44 2.7 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.513 1.525 . . . . 0.0 112.487 -174.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.8 m -162.89 167.57 22.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 110.953 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 mt -132.27 158.77 40.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.243 1.417 . . . . 0.0 109.254 165.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -140.69 145.61 36.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.343 1.057 . . . . 0.0 111.663 172.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.3 mtt -124.87 166.69 15.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.771 2.029 . . . . 0.0 110.992 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 pp -122.87 165.9 15.91 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.684 1.194 . . . . 0.0 112.989 -176.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -148.52 -50.08 0.16 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.956 1.302 . . . . 0.0 113.034 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.472 0.668 0 C-N-CA 125.491 1.516 . . . . 0.0 112.134 -174.189 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.566 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -61.11 116.91 4.9 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.552 1.541 . . . . 0.0 112.836 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.6 mmm -120.78 87.33 2.73 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.736 1.614 . . . . 0.0 110.534 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -55.2 -39.43 69.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.058 0.943 . . . . 0.0 112.908 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.81 -16.82 53.07 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.32 -3.19 14.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.524 1.53 . . . . 0.0 113.664 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -61.06 -57.28 13.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.888 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -56.62 -41.89 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.086 0.955 . . . . 0.0 112.333 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.1 -65.15 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -57.47 -39.03 75.49 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.334 1.054 . . . . 0.0 112.3 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -59.14 -47.47 85.18 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.077 0.951 . . . . 0.0 111.688 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.38 -51.72 65.88 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.008 0.923 . . . . 0.0 112.14 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.4 mm -54.96 -46.91 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.107 0.867 . . . . 0.0 111.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.96 77.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.805 0.842 . . . . 0.0 112.942 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.55 -47.52 85.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.398 1.079 . . . . 0.0 111.962 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -48.84 -57.36 6.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.707 1.603 . . . . 0.0 111.962 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -54.8 -50.81 67.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.361 1.064 . . . . 0.0 111.985 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.74 -44.28 93.85 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.238 1.015 . . . . 0.0 112.827 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.55 -43.77 96.86 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.238 -0.914 . . . . 0.0 111.577 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.79 84.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.633 0.651 . . . . 0.0 112.623 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -65.85 -32.91 74.7 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.53 1.059 . . . . 0.0 113.161 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -41.81 65.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.536 1.134 . . . . 0.0 110.971 -178.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -79.7 -2.96 45.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.87 1.668 . . . . 0.0 113.149 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 54.7 28.59 10.32 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.097 2.159 . . . . 0.0 112.733 -176.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.41 -39.82 45.72 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.791 1.637 . . . . 0.0 112.39 -175.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.9 m80 54.25 11.64 0.41 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.529 2.332 . . . . 0.0 116.271 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -146.12 159.61 43.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.016 2.527 . . . . 0.0 110.309 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.9 mt -139.88 133.54 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 108.969 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.84 -57.22 3.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.749 1.22 . . . . 0.0 110.386 174.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -156.62 167.36 30.7 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.31 121.67 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.317 2.247 . . . . 0.0 110.965 170.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 t -82.53 127.62 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.027 1.731 . . . . 0.0 109.468 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.31 119.47 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.588 1.155 . . . . 0.0 111.605 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.74 122.94 6.06 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.143 1.354 . . . . 0.0 112.565 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -118.52 125.22 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.82 1.648 . . . . 0.0 109.329 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.21 140.0 46.31 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.086 0.851 . . . . 0.0 113.304 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.57 -14.45 62.95 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.412 -1.052 . . . . 0.0 113.188 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -114.85 11.58 16.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.039 2.136 . . . . 0.0 114.134 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 p -64.5 -22.44 66.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.9 13.32 1.44 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.596 2.359 . . . . 0.0 115.052 -171.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.8 mtt -75.31 144.95 42.18 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.101 -0.999 . . . . 0.0 111.417 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -77.26 90.24 3.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.096 0.958 . . . . 0.0 110.743 172.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -52.18 -38.6 58.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.106 1.362 . . . . 0.0 113.445 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.8 t -63.17 -48.42 78.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.322 1.849 . . . . 0.0 112.066 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.98 -47.17 86.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.018 0.927 . . . . 0.0 110.942 173.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.98 -54.83 40.01 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.377 0.671 . . . . 0.0 112.195 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.59 -46.0 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 p -64.93 -29.12 70.04 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.92 54.52 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.808 1.243 . . . . 0.0 111.153 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.65 -58.19 5.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.52 0.728 . . . . 0.0 111.098 171.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.23 -21.25 66.29 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -73.18 -57.07 4.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.717 1.607 . . . . 0.0 110.997 168.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.77 -9.91 53.58 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -46.79 -37.96 9.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.476 1.489 . . . . 0.0 112.441 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.3 -9.16 22.01 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -174.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -22.05 64.06 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.713 0.805 . . . . 0.0 112.481 165.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.7 m -141.27 130.69 23.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.966 1.706 . . . . 0.0 112.603 -173.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.16 -44.92 96.55 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.472 -1.393 . . . . 0.0 112.806 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 m -69.06 -23.14 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.547 1.139 . . . . 0.0 112.894 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -78.18 -23.89 47.44 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 125.843 1.657 . . . . 0.0 112.989 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.24 -17.59 64.83 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.1 -15.14 44.92 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.816 1.247 . . . . 0.0 113.858 170.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 155.9 33.91 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -170.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.7 mt -126.49 149.77 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 127.661 2.384 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.96 126.61 38.13 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.851 . . . . 0.0 110.455 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 86.01 2.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.063 1.345 . . . . 0.0 110.555 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.45 133.97 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 110.274 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.2 t -122.23 125.49 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.544 1.938 . . . . 0.0 110.002 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -72.37 102.59 3.19 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.976 1.31 . . . . 0.0 111.523 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.4 121.69 27.91 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.486 1.114 . . . . 0.0 111.356 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -59.94 137.24 58.12 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.266 1.026 . . . . 0.0 110.788 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.17 159.38 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.921 0.889 . . . . 0.0 111.649 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -151.7 135.86 16.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.133 0.973 . . . . 0.0 112.39 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.89 95.71 5.04 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 127.907 2.483 . . . . 0.0 110.901 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.69 161.99 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 129.309 3.044 . . . . 0.0 112.342 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.4 t -101.64 158.06 16.37 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.299 1.44 . . . . 0.0 112.471 175.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -61.25 -61.9 2.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.65 1.58 . . . . 0.0 114.851 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -132.56 60.92 1.68 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.25 -156.5 0.69 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.438 1.895 . . . . 0.0 111.879 -163.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p -145.77 12.8 1.31 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -132.82 140.22 47.87 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.292 1.037 . . . . 0.0 113.618 -176.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.38 138.97 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 127.902 2.481 . . . . 0.0 110.007 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.31 -174.5 3.71 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.497 1.519 . . . . 0.0 112.995 -174.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 145.53 30.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.604 1.162 . . . . 0.0 110.701 165.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.79 153.63 43.04 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.152 2.568 . . . . 0.0 112.399 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -141.27 -166.89 2.28 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.643 2.377 . . . . 0.0 109.257 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.5 159.71 4.72 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.253 1.421 . . . . 0.0 113.362 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.31 -28.04 64.65 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -170.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.77 -13.01 60.94 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.338 1.055 . . . . 0.0 113.136 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -123.16 11.5 9.47 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.83 2.052 . . . . 0.0 113.308 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.96 -12.08 74.85 Favored Glycine 0 CA--C 1.541 1.657 0 O-C-N 121.165 -0.959 . . . . 0.0 114.786 -178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -67.27 151.37 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.468 1.507 . . . . 0.0 112.48 170.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.26 137.23 57.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.853 0.861 . . . . 0.0 109.991 164.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -19.86 54.52 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -79.63 -55.43 5.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.274 1.03 . . . . 0.0 111.527 167.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -119.57 106.61 12.36 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.49 1.516 . . . . 0.0 111.34 -174.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -72.66 69.42 0.89 Allowed 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -163.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -143.39 151.57 40.56 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.231 2.612 . . . . 0.0 110.016 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -86.29 17.02 3.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 113.749 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.69 -4.98 21.97 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.3 1.84 . . . . 0.0 115.682 -174.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.4 m -52.11 146.44 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.529 1.532 . . . . 0.0 113.587 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.56 152.22 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.13 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.19 105.1 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.548 1.139 . . . . 0.0 108.22 -176.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 t -88.72 -12.3 42.68 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.908 0.883 . . . . 0.0 112.623 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -155.68 125.61 6.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.784 2.034 . . . . 0.0 107.607 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.03 7.02 81.27 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 123.909 0.766 . . . . 0.0 114.87 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.22 -49.22 70.51 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.711 1.604 . . . . 0.0 111.463 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.77 164.38 26.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.763 2.025 . . . . 0.0 110.827 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 ptm -87.56 155.68 19.86 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.11 0.964 . . . . 0.0 112.9 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -148.26 149.85 32.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.335 1.454 . . . . 0.0 111.819 172.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.09 151.23 47.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 165.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -113.97 -61.53 1.73 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.119 1.768 . . . . 0.0 111.041 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -150.21 167.14 27.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.942 1.697 . . . . 0.0 111.559 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -128.63 164.77 22.16 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.418 1.087 . . . . 0.0 111.165 168.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -131.43 140.33 49.6 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.929 1.692 . . . . 0.0 110.527 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 63.3 mtt -132.19 120.15 21.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.268 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp -68.62 121.15 15.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.46 1.504 . . . . 0.0 109.606 175.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.09 -24.42 65.95 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 N--CA 1.47 0.537 0 C-N-CA 124.74 1.216 . . . . 0.0 113.132 -170.471 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 p -131.98 7.11 4.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.492 1.517 . . . . 0.0 114.618 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -129.77 166.76 19.23 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.371 1.869 . . . . 0.0 112.803 -175.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -124.65 -7.79 7.39 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.34 -42.84 92.44 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.821 -1.174 . . . . 0.0 112.501 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -80.36 1.24 29.68 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.9 t -57.86 -54.19 49.74 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.237 0.926 . . . . 0.0 111.755 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.83 -47.89 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.16 0.584 . . . . 0.0 110.769 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.75 -63.05 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.764 1.225 . . . . 0.0 111.153 -172.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -55.63 -39.42 70.82 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.599 1.56 . . . . 0.0 112.655 175.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -59.98 -43.82 94.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.121 0.568 . . . . 0.0 112.172 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -56.71 -46.7 81.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.873 0.869 . . . . 0.0 112.001 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.13 -51.63 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.198 0.599 . . . . 0.0 110.833 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.52 85.3 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.721 1.208 . . . . 0.0 112.919 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 mt -58.32 -51.29 70.42 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.62 1.568 . . . . 0.0 111.597 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.4 m -55.54 -49.25 73.15 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.762 0.825 . . . . 0.0 112.64 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.32 -54.6 41.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.822 0.849 . . . . 0.0 111.954 173.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.67 -49.2 78.67 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.326 1.05 . . . . 0.0 113.187 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -61.89 -39.86 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.205 -0.934 . . . . 0.0 111.808 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.41 86.87 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.942 0.792 . . . . 0.0 112.824 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -31.45 69.74 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.912 1.233 . . . . 0.0 113.086 172.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -74.51 -40.08 62.0 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.654 1.182 . . . . 0.0 111.339 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.99 -4.6 53.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.568 1.547 . . . . 0.0 113.013 171.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 59.54 26.2 15.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.873 2.069 . . . . 0.0 112.722 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.03 -39.53 25.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.165 1.786 . . . . 0.0 112.51 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 46.24 32.31 1.45 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.658 1.983 . . . . 0.0 114.431 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.51 167.4 9.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 128.912 2.885 . . . . 0.0 110.076 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -126.76 167.82 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 126.568 1.947 . . . . 0.0 109.081 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -120.05 -56.68 2.0 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.383 1.473 . . . . 0.0 111.45 164.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -152.47 116.56 4.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.884 0.765 . . . . 0.0 111.691 -168.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.26 106.13 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.929 1.291 . . . . 0.0 110.512 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 t -85.44 122.17 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.679 1.592 . . . . 0.0 110.015 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.82 128.32 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.968 1.307 . . . . 0.0 110.508 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.19 125.48 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.927 1.251 . . . . 0.0 111.74 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.96 117.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.203 1.401 . . . . 0.0 108.796 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 141.13 44.89 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.39 -9.02 51.65 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.978 -1.307 . . . . 0.0 113.261 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -103.63 8.51 37.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.691 1.997 . . . . 0.0 114.084 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.3 p -61.08 -27.21 68.19 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.59 18.68 4.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.153 2.181 . . . . 0.0 114.765 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.9 mtm -103.61 147.5 27.13 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.82 1.248 . . . . 0.0 112.455 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -82.08 114.22 20.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.719 1.208 . . . . 0.0 111.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -55.12 -36.94 66.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.379 1.072 . . . . 0.0 113.443 173.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 t -62.19 -45.01 95.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.287 1.435 . . . . 0.0 111.461 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.21 -46.62 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.694 0.797 . . . . 0.0 111.274 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.61 -53.57 56.5 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.33 -44.14 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.112 0.869 . . . . 0.0 112.332 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.3 t -60.21 -34.64 73.93 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 117.65 0.204 . . . . 0.0 111.473 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.65 -46.06 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.725 0.81 . . . . 0.0 111.693 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.82 -48.03 78.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.457 0.703 . . . . 0.0 111.858 173.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -64.27 -32.01 73.43 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.055 0.942 . . . . 0.0 113.445 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -64.25 -55.08 24.02 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.22 -0.925 . . . . 0.0 111.453 168.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -76.19 -7.9 55.86 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -53.72 -33.01 54.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.903 1.229 . . . . 0.0 113.705 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.75 -30.24 43.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.739 2.016 . . . . 0.0 114.104 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.25 -21.02 64.85 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.088 1.355 . . . . 0.0 114.071 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.3 m -138.83 126.28 21.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.207 1.403 . . . . 0.0 112.627 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.37 -44.97 80.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.576 1.15 . . . . 0.0 111.702 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -66.53 -26.82 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.801 0.84 . . . . 0.0 113.178 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -78.11 -22.78 48.37 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.807 1.243 . . . . 0.0 112.517 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.65 -9.95 56.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.182 0.993 . . . . 0.0 113.245 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.53 65.73 1.16 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.931 2.092 . . . . 0.0 110.041 169.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.47 160.21 40.72 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.054 1.741 . . . . 0.0 111.641 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.98 143.22 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.376 1.87 . . . . 0.0 108.885 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.79 155.45 37.6 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.11 0.964 . . . . 0.0 112.74 175.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.22 89.28 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.561 1.145 . . . . 0.0 111.236 160.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -77.02 104.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.568 1.147 . . . . 0.0 110.618 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.16 119.68 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.127 1.771 . . . . 0.0 109.885 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -71.61 110.46 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 110.31 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 139.92 36.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.711 0.804 . . . . 0.0 112.392 -177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -73.03 167.87 20.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.153 0.981 . . . . 0.0 111.81 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.78 158.98 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.419 1.487 . . . . 0.0 111.063 -175.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -145.33 127.96 16.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.416 0.687 . . . . 0.0 112.517 -170.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -108.33 98.95 8.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.775 2.03 . . . . 0.0 110.269 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.8 147.38 48.98 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.946 2.098 . . . . 0.0 111.34 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.97 162.74 28.73 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 121.772 0.796 . . . . 0.0 110.993 154.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -61.14 -75.86 0.06 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.554 1.942 . . . . 0.0 114.639 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.12 61.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.621 1.568 . . . . 0.0 110.0 -169.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.27 -153.12 0.45 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.574 1.95 . . . . 0.0 111.273 -161.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.4 p -140.19 3.86 1.99 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -127.56 153.85 45.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.478 1.511 . . . . 0.0 113.202 -174.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.62 154.16 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.593 1.957 . . . . 0.0 109.942 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -140.38 -178.13 5.35 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.31 1.044 . . . . 0.0 112.964 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 140.36 21.13 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 125.542 1.537 . . . . 0.0 111.142 173.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.18 123.57 8.89 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.096 2.531 . . . . 0.0 111.57 -173.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -143.15 -68.97 0.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.842 1.257 . . . . 0.0 111.091 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.01 165.47 23.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.279 1.032 . . . . 0.0 112.23 169.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.75 -66.45 1.07 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.367 1.467 . . . . 0.0 111.547 176.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.6 -43.55 84.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.025 0.829 . . . . 0.0 111.907 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -82.26 5.39 20.18 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.761 1.625 . . . . 0.0 113.049 172.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.99 35.25 3.43 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 126.417 1.961 . . . . 0.0 113.029 -173.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.55 161.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.553 1.941 . . . . 0.0 112.09 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.06 128.27 36.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.05 0.928 . . . . 0.0 110.812 163.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -67.42 -22.81 65.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.917 0.887 . . . . 0.0 112.853 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -83.76 -50.32 8.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.301 1.04 . . . . 0.0 111.324 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -127.92 97.23 4.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.461 1.904 . . . . 0.0 111.294 -175.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -59.71 67.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.97 2.508 . . . . 0.0 116.561 -169.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.3 m -140.28 159.08 42.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.389 2.676 . . . . 0.0 111.568 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.41 8.92 19.74 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.249 2.219 . . . . 0.0 113.873 -176.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -65.61 -7.73 16.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.951 2.1 . . . . 0.0 116.192 -172.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.1 m -53.29 150.6 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.927 1.691 . . . . 0.0 114.319 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.87 153.41 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.819 1.648 . . . . 0.0 112.912 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -78.31 113.55 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.412 1.485 . . . . 0.0 107.7 179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.2 t -98.35 -11.82 22.11 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.246 1.018 . . . . 0.0 112.062 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -154.64 131.08 10.51 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.217 2.207 . . . . 0.0 107.779 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 112.73 -5.1 26.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.194 0.902 . . . . 0.0 115.251 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -61.47 -30.42 70.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.414 1.886 . . . . 0.0 113.371 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -144.05 -178.64 6.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.88 2.072 . . . . 0.0 112.101 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -105.5 149.88 25.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.39 1.076 . . . . 0.0 111.039 155.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -149.03 148.97 30.35 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.454 1.502 . . . . 0.0 111.044 175.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.78 158.48 15.64 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.813 -0.554 . . . . 0.0 112.422 167.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.86 -57.8 1.42 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 111.411 -175.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 m -150.05 167.81 25.71 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.222 1.409 . . . . 0.0 111.585 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 118.73 12.16 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 110.683 163.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -75.91 147.73 38.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.338 0.655 . . . . 0.0 109.779 170.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 56.0 mtt -137.57 140.15 40.85 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.169 1.788 . . . . 0.0 109.585 176.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.0 mt -137.42 153.74 50.09 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.715 1.206 . . . . 0.0 112.28 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -143.11 -13.36 0.72 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.583 1.553 . . . . 0.0 114.554 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 125.085 1.354 . . . . 0.0 112.579 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.432 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 m -66.79 160.24 26.32 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.872 1.269 . . . . 0.0 113.064 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 36.1 tpp -130.91 -15.08 3.44 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.847 1.259 . . . . 0.0 114.316 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -58.71 -42.55 88.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.645 1.178 . . . . 0.0 112.915 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.25 -16.49 63.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.967 1.307 . . . . 0.0 114.404 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -95.73 -3.51 45.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.436 1.095 . . . . 0.0 113.6 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -54.35 -54.46 40.14 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.165 0.986 . . . . 0.0 111.859 172.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 p -55.79 -47.04 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.171 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.88 -55.04 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 111.83 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -56.31 -44.85 80.32 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.536 1.135 . . . . 0.0 111.519 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -61.83 -46.35 89.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.865 0.866 . . . . 0.0 112.279 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.66 -54.83 41.56 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.945 1.698 . . . . 0.0 110.89 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.62 -42.36 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.907 0.883 . . . . 0.0 111.796 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.03 92.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.77 -45.09 91.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.242 1.017 . . . . 0.0 111.896 174.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.0 m -53.05 -52.81 57.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.561 1.144 . . . . 0.0 112.554 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -51.47 -58.4 6.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.133 1.373 . . . . 0.0 111.486 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -48.27 82.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.832 1.253 . . . . 0.0 113.33 -176.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -64.34 -38.4 90.89 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.306 -0.872 . . . . 0.0 112.023 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.37 73.75 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.008 0.822 . . . . 0.0 112.395 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -64.21 -32.95 74.73 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.285 0.948 . . . . 0.0 112.925 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -74.31 -38.19 63.4 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.143 0.977 . . . . 0.0 111.38 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -79.96 -2.4 43.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.216 1.406 . . . . 0.0 113.151 171.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 56.34 29.15 14.56 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.757 2.023 . . . . 0.0 112.373 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.8 -37.71 34.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.96 1.304 . . . . 0.0 112.39 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 53.43 12.87 0.39 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.281 2.232 . . . . 0.0 115.743 -176.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -156.84 171.83 19.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.626 2.371 . . . . 0.0 111.477 165.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.6 mt -132.01 143.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.466 1.906 . . . . 0.0 109.004 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -83.45 -68.5 0.71 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.874 1.27 . . . . 0.0 109.854 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -139.71 115.03 9.82 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.824 1.65 . . . . 0.0 112.592 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.3 t -65.77 131.2 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 159.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.7 t -105.32 118.91 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.033 1.333 . . . . 0.0 109.413 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 t -134.43 129.75 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.109 0.964 . . . . 0.0 111.804 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.21 138.63 14.01 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.873 1.225 . . . . 0.0 112.893 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -127.67 125.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.724 1.61 . . . . 0.0 108.629 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.51 143.84 43.04 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.407 0.527 . . . . 0.0 112.211 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.74 -10.85 58.91 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.336 -1.097 . . . . 0.0 112.986 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -115.62 8.58 15.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.082 2.153 . . . . 0.0 114.17 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -67.89 -13.93 62.55 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.71 -6.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 128.812 2.845 . . . . 0.0 117.48 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -72.99 132.56 43.57 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.471 1.509 . . . . 0.0 110.829 172.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.37 111.4 3.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.726 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -53.69 -39.68 65.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.694 1.198 . . . . 0.0 113.22 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.22 -41.01 97.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.727 1.611 . . . . 0.0 112.281 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.59 -43.43 93.85 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.48 -0.762 . . . . 0.0 111.722 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.47 -53.17 61.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.361 0.982 . . . . 0.0 112.532 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -61.32 -44.62 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 118.579 0.627 . . . . 0.0 112.615 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -62.02 -32.94 73.48 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.8 -44.23 70.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.487 -0.758 . . . . 0.0 111.611 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.78 -50.73 60.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.535 0.734 . . . . 0.0 112.069 169.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.63 -16.71 59.49 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -64.13 -54.95 25.83 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.662 -1.274 . . . . 0.0 111.046 164.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -86.19 8.96 19.02 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -50.51 -30.47 12.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.026 1.33 . . . . 0.0 113.381 175.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.39 -18.68 11.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.534 1.934 . . . . 0.0 114.351 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.52 -27.51 69.02 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.218 1.407 . . . . 0.0 113.411 172.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.1 m -153.75 130.48 10.81 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -174.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.63 -31.0 65.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.663 1.185 . . . . 0.0 112.771 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.24 -27.41 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.387 0.675 . . . . 0.0 112.68 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -88.41 -35.12 17.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.989 1.716 . . . . 0.0 112.521 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -56.51 -26.07 53.41 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -114.33 1.0 14.31 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.249 1.419 . . . . 0.0 113.989 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.25 170.81 9.69 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.754 1.221 . . . . 0.0 113.745 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.7 mt -124.06 158.76 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.012 2.125 . . . . 0.0 109.384 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.0 tt -119.31 102.12 8.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.722 1.609 . . . . 0.0 109.885 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.62 98.52 9.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.95 2.5 . . . . 0.0 111.082 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.5 mt -80.32 134.75 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.914 1.286 . . . . 0.0 111.045 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.51 132.43 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.769 2.027 . . . . 0.0 110.746 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.4 110.56 8.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.113 1.365 . . . . 0.0 111.094 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.98 132.07 43.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.229 1.012 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -79.75 168.85 18.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.48 -0.762 . . . . 0.0 112.702 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.45 137.42 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.907 1.683 . . . . 0.0 109.829 -174.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -137.98 129.32 27.72 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.882 0.873 . . . . 0.0 111.936 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt -106.38 104.1 13.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.359 1.863 . . . . 0.0 110.939 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.26 149.88 30.23 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.447 -0.783 . . . . 0.0 112.393 168.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.9 t -79.28 150.77 31.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 0.0 111.681 169.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -58.95 -59.96 4.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.665 1.986 . . . . 0.0 114.637 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.3 58.79 1.71 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 111.495 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -143.94 -156.75 0.72 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.707 2.003 . . . . 0.0 111.485 -164.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.9 p -145.08 15.37 1.52 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -132.67 152.44 51.69 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.526 1.53 . . . . 0.0 112.452 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -139.13 150.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.534 1.933 . . . . 0.0 110.472 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -143.82 178.05 8.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.23 1.012 . . . . 0.0 113.073 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -97.2 142.75 25.01 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.552 1.541 . . . . 0.0 111.865 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.27 132.79 37.62 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.642 2.228 . . . . 0.0 113.414 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -132.83 -172.78 3.01 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.597 2.359 . . . . 0.0 110.046 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 141.03 51.07 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.932 1.693 . . . . 0.0 113.568 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.18 -32.52 68.32 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.835 1.654 . . . . 0.0 115.014 -171.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.14 -15.5 63.75 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.252 1.021 . . . . 0.0 112.943 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -122.73 20.24 10.18 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.169 2.188 . . . . 0.0 112.691 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.19 -4.3 67.88 Favored Glycine 0 CA--C 1.535 1.331 0 O-C-N 120.872 -1.143 . . . . 0.0 115.659 -171.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.3 m -62.72 153.0 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.65 1.18 . . . . 0.0 113.265 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.14 144.91 53.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.159 1.384 . . . . 0.0 111.214 173.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.39 -39.09 91.78 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.611 0.764 . . . . 0.0 111.814 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -75.31 -55.53 5.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.335 1.454 . . . . 0.0 112.268 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.6 p -119.0 127.28 53.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.424 1.49 . . . . 0.0 112.223 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -80.39 63.35 4.83 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.277 -1.514 . . . . 0.0 113.732 -167.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.4 t -144.97 155.31 43.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.125 1.77 . . . . 0.0 110.061 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -104.09 31.73 4.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.875 1.67 . . . . 0.0 112.647 -175.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.01 -1.28 3.91 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.611 2.765 . . . . 0.0 115.68 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -58.83 157.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.019 1.728 . . . . 0.0 113.83 -175.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.9 152.41 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.001 1.321 . . . . 0.0 112.795 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.2 111.71 8.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 125.31 1.444 . . . . 0.0 108.197 178.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.3 t -103.6 -5.83 22.28 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.374 1.07 . . . . 0.0 112.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -159.25 130.87 6.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 127.284 2.234 . . . . 0.0 107.467 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.35 14.54 55.62 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.705 1.042 . . . . 0.0 115.705 172.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -54.95 -45.61 74.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.765 1.626 . . . . 0.0 111.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.9 170.16 22.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.573 2.349 . . . . 0.0 111.242 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -66.25 165.2 14.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 113.323 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -159.71 145.16 15.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.1 1.76 . . . . 0.0 111.956 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.39 148.39 50.75 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.507 -0.746 . . . . 0.0 110.474 164.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.34 -60.15 1.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.345 1.458 . . . . 0.0 110.316 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.1 m -152.32 175.37 12.74 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.801 1.641 . . . . 0.0 111.243 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.84 169.86 8.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.68 1.192 . . . . 0.0 108.915 157.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 132.37 36.35 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.688 1.995 . . . . 0.0 108.126 170.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.0 mtt -131.68 127.64 37.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.05 1.34 . . . . 0.0 110.15 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -135.11 150.1 50.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.117 1.767 . . . . 0.0 110.788 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.54 -53.84 14.51 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.123 0.969 . . . . 0.0 111.814 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 . . . . . 0 N--CA 1.47 0.526 0 C-N-CA 126.313 1.845 . . . . 0.0 111.527 -178.003 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -75.4 75.47 2.48 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.874 1.27 . . . . 0.0 112.139 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 36.8 tpp -65.9 141.47 58.23 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.987 1.315 . . . . 0.0 111.635 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -57.32 -48.53 78.73 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.683 0.793 . . . . 0.0 112.974 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.14 -17.46 64.49 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.95 2.13 32.04 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.397 1.479 . . . . 0.0 113.381 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 t -61.08 -57.7 11.45 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.412 1.085 . . . . 0.0 110.202 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.16 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.958 0.903 . . . . 0.0 111.856 176.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.36 -57.62 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.499 1.519 . . . . 0.0 111.767 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -56.94 -41.07 77.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.375 1.07 . . . . 0.0 112.308 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -62.05 -40.87 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.163 -0.922 . . . . 0.0 113.124 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.02 -60.01 3.96 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.808 1.185 . . . . 0.0 109.982 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -52.99 -50.66 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.755 1.622 . . . . 0.0 111.567 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.88 81.68 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.55 -44.24 96.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.317 0.962 . . . . 0.0 111.574 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 94.8 m -58.68 -48.68 80.26 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.913 0.885 . . . . 0.0 111.91 173.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -55.66 -50.64 69.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.253 0.621 . . . . 0.0 112.129 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -64.7 -37.22 86.84 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.119 1.368 . . . . 0.0 113.232 -176.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -70.09 -42.53 72.6 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.349 -0.844 . . . . 0.0 112.408 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.9 96.24 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.593 1.088 . . . . 0.0 112.8 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -66.06 -34.44 78.08 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -78.15 -37.57 45.66 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.773 1.229 . . . . 0.0 111.537 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -79.27 -3.22 44.96 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 170.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 57.84 25.97 12.67 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.831 2.052 . . . . 0.0 112.709 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.88 22.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.119 1.768 . . . . 0.0 112.313 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 48.53 26.67 1.23 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.87 2.068 . . . . 0.0 115.081 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -149.79 168.63 23.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.97 2.508 . . . . 0.0 111.244 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -128.67 153.95 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.936 2.094 . . . . 0.0 108.224 167.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -99.84 -62.47 1.23 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.593 1.157 . . . . 0.0 109.306 161.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -149.5 170.31 18.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.755 1.222 . . . . 0.0 113.647 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.46 110.78 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.799 2.44 . . . . 0.0 108.552 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -86.61 120.77 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.251 1.821 . . . . 0.0 110.184 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.62 132.67 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.473 1.509 . . . . 0.0 110.068 -172.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 126.61 8.93 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 111.888 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.6 mt -128.9 119.75 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.384 1.474 . . . . 0.0 109.72 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.6 141.07 43.53 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.805 0.717 . . . . 0.0 112.615 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.01 -12.08 61.36 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.328 -1.101 . . . . 0.0 113.624 -173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -110.03 7.63 23.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.579 1.952 . . . . 0.0 113.963 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.1 p -61.06 -25.74 67.15 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.09 10.64 0.85 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.709 2.404 . . . . 0.0 115.107 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.7 mtm -84.28 141.42 30.97 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.051 0.94 . . . . 0.0 111.077 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -75.08 100.49 4.23 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.123 0.969 . . . . 0.0 111.501 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -56.78 -38.05 71.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.865 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -67.82 -40.72 83.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.163 1.385 . . . . 0.0 111.288 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.18 -48.73 79.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.808 0.843 . . . . 0.0 110.538 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.38 -50.35 73.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.28 0.946 . . . . 0.0 113.139 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.22 -40.01 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 t -62.85 -30.39 71.47 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.11 61.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.549 1.14 . . . . 0.0 111.113 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -54.35 -47.81 72.15 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.522 0.729 . . . . 0.0 112.301 172.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.18 -40.97 95.91 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.978 1.311 . . . . 0.0 112.66 175.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 111.659 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -83.65 2.97 34.97 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -51.1 -31.59 19.71 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.782 1.174 . . . . 0.0 113.353 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.2 -19.23 53.3 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.421 1.888 . . . . 0.0 114.177 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.15 -24.65 64.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.805 1.242 . . . . 0.0 113.56 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -139.18 119.21 13.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.183 1.393 . . . . 0.0 111.979 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.97 -28.51 57.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.797 1.239 . . . . 0.0 113.904 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.94 -20.26 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.496 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.14 -18.91 26.23 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.768 1.627 . . . . 0.0 113.855 -177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -63.83 -11.18 24.95 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -134.13 74.16 1.53 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.864 2.065 . . . . 0.0 110.137 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.04 170.47 18.3 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.887 1.675 . . . . 0.0 112.583 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.79 149.24 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 127.086 2.155 . . . . 0.0 109.455 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -113.5 103.9 11.73 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.238 1.415 . . . . 0.0 109.885 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.92 91.07 8.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.979 1.712 . . . . 0.0 111.49 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.0 101.38 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.053 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.7 t -78.97 116.53 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.25 1.82 . . . . 0.0 110.206 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -74.91 105.09 5.77 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.585 1.154 . . . . 0.0 110.264 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.77 149.48 24.82 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.188 0.995 . . . . 0.0 112.662 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -66.11 163.96 16.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.605 1.162 . . . . 0.0 111.273 167.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.5 t -130.17 142.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.528 1.531 . . . . 0.0 109.813 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -142.66 141.5 31.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.188 0.995 . . . . 0.0 111.871 -175.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.2 mt -115.14 103.98 11.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.076 2.15 . . . . 0.0 110.77 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.63 151.17 29.15 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.641 -0.662 . . . . 0.0 112.239 167.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.7 t -79.01 153.95 29.87 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.758 0.79 . . . . 0.0 111.436 166.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -62.43 -62.63 1.62 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.754 2.022 . . . . 0.0 114.422 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -128.71 58.09 1.59 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.765 1.626 . . . . 0.0 111.256 -169.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.3 -156.07 0.65 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.895 2.078 . . . . 0.0 111.425 -164.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -148.5 30.41 0.83 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.812 1.245 . . . . 0.0 112.47 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -144.13 149.39 36.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.847 1.259 . . . . 0.0 112.676 -172.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.45 152.73 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 126.499 1.92 . . . . 0.0 110.689 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -144.17 -179.96 6.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.251 1.421 . . . . 0.0 112.067 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 144.93 29.68 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 124.637 1.175 . . . . 0.0 112.305 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.08 121.39 8.01 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.175 2.583 . . . . 0.0 113.102 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -139.27 -68.48 0.43 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.402 1.481 . . . . 0.0 111.691 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.71 166.6 21.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.4 1.08 . . . . 0.0 112.927 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.79 -66.08 0.85 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.6 1.56 . . . . 0.0 112.05 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.05 -39.28 90.0 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.219 -0.926 . . . . 0.0 111.808 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -93.97 22.06 6.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.144 2.178 . . . . 0.0 112.576 174.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -80.41 25.73 3.2 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 126.922 2.201 . . . . 0.0 114.833 -172.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -65.06 156.4 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.147 1.779 . . . . 0.0 112.683 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.1 t -67.8 144.77 55.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.705 1.202 . . . . 0.0 111.372 173.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -63.73 -41.85 97.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.647 0.779 . . . . 0.0 111.845 -175.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -74.39 -57.12 4.15 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.488 1.115 . . . . 0.0 112.261 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.7 p -114.76 120.38 39.86 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.878 1.671 . . . . 0.0 111.749 -172.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.434 ' H ' ' CD2' ' A' ' 97' ' ' HIS . 7.2 p80 -71.8 55.94 0.28 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.673 2.389 . . . . 0.0 114.457 -171.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 156.15 47.0 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.662 1.985 . . . . 0.0 110.565 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 28.44 6.6 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.306 1.842 . . . . 0.0 112.772 -175.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -66.73 -2.03 4.51 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.709 2.404 . . . . 0.0 115.506 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.31 154.7 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.02 1.728 . . . . 0.0 113.78 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.15 153.33 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.098 1.359 . . . . 0.0 113.375 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.0 mp -75.74 107.42 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.055 1.742 . . . . 0.0 109.173 -177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.5 t -98.36 -6.42 30.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.539 1.136 . . . . 0.0 112.737 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -154.81 127.45 8.02 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 126.719 2.008 . . . . 0.0 107.925 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.84 17.99 79.3 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 123.467 0.556 . . . . 0.0 114.121 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -56.85 -40.83 76.83 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.477 1.911 . . . . 0.0 111.561 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -140.17 164.98 28.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.971 1.708 . . . . 0.0 111.643 172.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -74.18 148.34 41.74 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.343 1.057 . . . . 0.0 111.12 165.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -143.96 164.17 31.35 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.793 2.037 . . . . 0.0 111.027 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.67 154.98 34.89 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.595 -0.691 . . . . 0.0 110.948 158.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -119.89 -53.96 2.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.642 1.177 . . . . 0.0 111.123 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -162.61 173.62 13.68 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.351 1.46 . . . . 0.0 112.101 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -121.83 165.58 15.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.928 1.291 . . . . 0.0 109.076 165.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.37 151.29 51.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.094 1.757 . . . . 0.0 110.297 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.4 mtt -126.41 158.19 36.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.073 1.749 . . . . 0.0 110.899 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.2 99.11 4.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.746 1.618 . . . . 0.0 109.749 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.44 -20.2 19.27 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.826 1.25 . . . . 0.0 114.216 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 124.495 1.118 . . . . 0.0 112.221 179.368 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -62.46 101.32 0.23 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.056 1.742 . . . . 0.0 113.115 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 45.2 mtt -71.12 26.44 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.778 2.031 . . . . 0.0 114.641 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -58.46 -27.98 64.89 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.322 -1.486 . . . . 0.0 113.377 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.1 -22.85 61.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.881 1.272 . . . . 0.0 114.309 171.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -103.31 -0.99 29.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.011 1.725 . . . . 0.0 113.469 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.8 t -61.1 -51.84 67.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.866 0.866 . . . . 0.0 110.682 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -47.16 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.084 0.953 . . . . 0.0 111.745 176.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -54.71 -59.58 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.612 1.565 . . . . 0.0 111.575 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.7 t -57.07 -43.35 82.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.958 1.303 . . . . 0.0 111.742 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -61.96 -41.47 98.02 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.428 0.691 . . . . 0.0 112.5 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.67 -43.51 96.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.066 0.848 . . . . 0.0 112.176 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.08 -50.22 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.727 1.211 . . . . 0.0 110.245 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.18 77.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.966 0.906 . . . . 0.0 112.774 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.95 -46.37 89.61 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.205 1.402 . . . . 0.0 112.107 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -56.48 -45.86 80.72 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.012 0.824 . . . . 0.0 111.891 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -58.45 -52.47 65.47 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.58 0.752 . . . . 0.0 112.26 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 65.4 mm-40 -57.16 -51.93 67.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.773 1.229 . . . . 0.0 112.766 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -62.97 -39.27 94.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.512 -0.743 . . . . 0.0 111.717 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.47 83.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.984 0.811 . . . . 0.0 112.391 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' ' 18' ' ' GLU . 24.4 pttt -70.92 -31.28 67.85 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.528 1.058 . . . . 0.0 113.552 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -73.06 -37.11 66.95 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.072 0.949 . . . . 0.0 111.212 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -82.77 -5.03 58.72 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.484 1.514 . . . . 0.0 112.983 171.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 58.8 24.57 12.49 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.145 2.178 . . . . 0.0 113.002 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.69 58.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.165 1.786 . . . . 0.0 112.077 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 51.31 19.12 0.71 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 127.212 2.205 . . . . 0.0 115.542 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -153.15 167.08 30.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 129.062 2.945 . . . . 0.0 109.933 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.1 mm -116.92 166.29 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 126.503 1.921 . . . . 0.0 108.859 168.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -111.53 -66.69 1.06 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.177 1.391 . . . . 0.0 109.424 161.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -139.61 158.92 43.3 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.736 1.614 . . . . 0.0 112.084 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.66 110.69 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 127.079 2.152 . . . . 0.0 110.515 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.5 t -86.26 126.24 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.273 1.829 . . . . 0.0 110.051 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.0 t -133.64 124.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.649 1.579 . . . . 0.0 109.99 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.89 6.51 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 125.047 1.308 . . . . 0.0 111.054 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.01 118.33 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.198 1.399 . . . . 0.0 108.567 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.04 152.04 51.24 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.69 0.662 . . . . 0.0 113.234 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.36 -1.23 28.96 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.443 -1.033 . . . . 0.0 112.917 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -129.93 8.53 5.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.053 2.141 . . . . 0.0 113.592 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -68.89 -16.95 63.9 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.71 3.53 0.21 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.361 2.664 . . . . 0.0 117.363 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -72.56 153.48 41.27 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.676 1.19 . . . . 0.0 111.483 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -79.81 97.26 6.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.14 0.976 . . . . 0.0 110.701 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -57.25 -39.36 75.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.398 . . . . 0.0 112.949 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -61.53 -43.94 97.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.678 1.991 . . . . 0.0 112.116 172.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.0 -41.24 99.53 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.959 0.903 . . . . 0.0 111.523 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.22 -54.34 47.92 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.583 1.083 . . . . 0.0 112.535 176.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.52 -41.87 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 t -60.73 -33.67 73.26 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.83 60.8 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.216 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -52.14 -55.13 22.85 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.108 0.963 . . . . 0.0 111.678 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.02 -36.98 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.126 1.77 . . . . 0.0 113.265 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 m -64.47 -57.98 7.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.366 1.066 . . . . 0.0 111.552 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -79.77 -6.55 57.51 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -47.67 -36.64 11.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.841 2.456 . . . . 0.0 113.487 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.7 -11.74 19.25 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.32 -22.88 65.3 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -137.15 123.19 20.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.866 1.267 . . . . 0.0 112.263 -175.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.89 -35.03 73.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.165 0.986 . . . . 0.0 112.846 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.61 -23.04 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.377 1.071 . . . . 0.0 113.022 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 m -82.68 -27.33 31.33 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.95 1.7 . . . . 0.0 113.34 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -65.51 -2.68 3.56 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.373 1.469 . . . . 0.0 114.834 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -126.51 79.99 1.9 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.307 1.843 . . . . 0.0 109.678 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.03 164.36 35.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.603 1.561 . . . . 0.0 112.102 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.1 mt -136.74 134.89 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.189 1.796 . . . . 0.0 109.367 172.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.18 102.9 14.77 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.074 1.35 . . . . 0.0 110.816 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -78.49 91.76 4.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.607 1.163 . . . . 0.0 111.204 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.41 100.62 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 124.98 1.312 . . . . 0.0 110.005 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.08 125.2 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.171 1.789 . . . . 0.0 110.095 171.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -69.31 100.29 1.31 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 109.945 166.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 150.78 25.36 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.044 0.938 . . . . 0.0 111.214 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 166.05 22.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.649 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -132.68 137.77 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.458 1.503 . . . . 0.0 110.603 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -143.45 153.65 42.87 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.922 1.289 . . . . 0.0 111.283 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.3 mt -122.31 106.11 10.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.755 2.422 . . . . 0.0 111.396 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.61 154.28 27.51 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.455 166.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.3 t -79.12 159.38 27.49 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.872 0.869 . . . . 0.0 111.827 165.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.96 -69.42 0.28 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.629 1.972 . . . . 0.0 113.885 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -121.83 60.83 0.96 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.154 1.781 . . . . 0.0 110.929 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -147.05 -159.98 1.1 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.719 2.408 . . . . 0.0 110.412 -165.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.0 p -146.04 23.41 1.36 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.738 1.215 . . . . 0.0 113.928 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -131.39 149.87 52.37 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.697 1.599 . . . . 0.0 112.401 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.1 m -137.0 151.51 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.095 1.758 . . . . 0.0 111.204 172.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -143.76 175.69 9.8 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.267 1.427 . . . . 0.0 112.095 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 142.54 24.82 Favored Pre-proline 0 N--CA 1.478 0.973 0 O-C-N 120.723 -1.236 . . . . 0.0 112.502 -177.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.65 172.2 14.85 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.408 2.739 . . . . 0.0 114.002 -172.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 92.31 -13.71 0.18 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 131.004 3.721 . . . . 0.0 113.696 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.79 112.02 3.52 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.045 0.938 . . . . 0.0 111.833 172.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.42 HD21 ' H ' ' A' ' 88' ' ' LEU . 2.3 pt? -90.76 -39.98 12.08 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.085 1.354 . . . . 0.0 113.935 -170.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.09 -18.33 58.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.475 0.71 . . . . 0.0 112.712 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -124.76 52.09 1.58 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.008 2.123 . . . . 0.0 111.707 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.51 -19.64 70.82 Favored Glycine 0 CA--C 1.54 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 114.82 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.88 163.05 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.447 1.499 . . . . 0.0 111.837 167.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.1 141.85 58.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 122.064 0.935 . . . . 0.0 110.713 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.86 -39.09 93.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.542 0.737 . . . . 0.0 111.828 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -77.76 -57.77 3.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.885 1.274 . . . . 0.0 112.524 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -113.16 125.33 54.23 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.339 1.456 . . . . 0.0 111.82 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -79.29 60.91 3.23 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.308 -1.495 . . . . 0.0 113.95 -166.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.0 m -139.03 154.87 48.28 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.103 2.161 . . . . 0.0 110.613 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.29 19.01 16.22 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.844 1.658 . . . . 0.0 113.211 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -68.94 -1.83 8.3 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.931 2.492 . . . . 0.0 115.861 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -55.83 150.39 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.519 1.528 . . . . 0.0 113.446 -175.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.08 156.87 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.614 1.566 . . . . 0.0 112.516 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -68.17 106.54 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.971 1.308 . . . . 0.0 109.54 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -87.7 -12.51 45.14 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 121.653 0.739 . . . . 0.0 112.431 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -160.31 125.63 3.94 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.816 2.046 . . . . 0.0 107.765 -168.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.25 18.24 61.1 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 114.938 0.735 . . . . 0.0 114.938 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.87 -35.76 75.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.984 1.314 . . . . 0.0 113.004 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -142.22 164.53 29.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.89 1.676 . . . . 0.0 110.954 173.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -69.29 155.21 40.8 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.981 0.912 . . . . 0.0 111.322 164.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -151.4 160.81 43.57 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.307 1.443 . . . . 0.0 112.191 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -68.82 150.98 47.21 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.766 -0.584 . . . . 0.0 110.703 157.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.4 mt -116.66 -51.76 2.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.924 1.29 . . . . 0.0 111.56 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -161.86 169.13 21.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.132 1.373 . . . . 0.0 111.34 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.22 166.52 13.87 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.853 1.261 . . . . 0.0 110.899 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -133.33 148.95 51.91 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.658 1.583 . . . . 0.0 110.685 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 mtt -137.32 128.47 27.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.193 2.197 . . . . 0.0 109.73 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.2 mt -139.97 170.71 15.36 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.996 1.718 . . . . 0.0 111.607 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -119.63 -56.02 2.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.716 1.606 . . . . 0.0 111.941 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 124.412 1.085 . . . . 0.0 112.073 174.583 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -145.57 114.62 6.99 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.207 1.403 . . . . 0.0 110.915 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 77.9 mtm -140.74 155.0 46.55 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.797 1.639 . . . . 0.0 111.379 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -100.41 -12.61 19.25 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.452 1.101 . . . . 0.0 113.867 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.62 -43.52 84.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.659 1.183 . . . . 0.0 112.657 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -86.14 -1.66 57.62 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.1 t -62.9 -55.44 26.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.915 0.78 . . . . 0.0 111.153 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.12 -41.11 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.756 0.822 . . . . 0.0 112.266 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 72.1 t -57.78 -65.59 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.731 2.013 . . . . 0.0 111.701 176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.0 t -53.43 -43.08 67.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.329 1.051 . . . . 0.0 112.179 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t -59.26 -51.94 67.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.456 1.102 . . . . 0.0 112.3 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.5 -51.72 68.64 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.309 1.044 . . . . 0.0 112.264 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -54.62 -47.67 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.914 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.12 85.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.791 0.836 . . . . 0.0 113.085 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.93 -48.78 80.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.308 1.443 . . . . 0.0 112.156 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -62.85 -41.02 99.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.573 1.149 . . . . 0.0 112.408 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.98 -47.36 85.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.918 0.781 . . . . 0.0 111.976 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.25 -43.2 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.798 0.839 . . . . 0.0 112.695 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -62.68 -42.77 99.8 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.173 -0.955 . . . . 0.0 112.259 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.15 95.29 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.907 0.776 . . . . 0.0 112.664 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -66.6 -32.5 73.88 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.371 0.987 . . . . 0.0 113.076 172.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -74.38 -40.85 61.81 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.541 1.136 . . . . 0.0 111.587 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.71 -8.01 56.44 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.428 1.491 . . . . 0.0 112.85 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 57.75 28.82 16.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.828 2.051 . . . . 0.0 112.352 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.49 -36.56 71.16 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.441 1.496 . . . . 0.0 112.236 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.7 m80 54.71 10.99 0.4 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.215 2.206 . . . . 0.0 115.652 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -162.36 178.47 8.63 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.695 2.798 . . . . 0.0 110.937 168.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.1 mt -118.8 163.48 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 126.581 1.952 . . . . 0.0 108.554 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -105.24 -62.47 1.34 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.421 1.088 . . . . 0.0 109.559 162.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -155.74 111.99 3.12 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.657 1.183 . . . . 0.0 111.585 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m -74.65 142.02 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.731 -0.606 . . . . 0.0 109.637 166.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -124.84 125.78 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.52 1.528 . . . . 0.0 108.805 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.4 142.54 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.022 1.329 . . . . 0.0 110.69 -169.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.28 130.78 10.36 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.458 1.504 . . . . 0.0 111.793 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mt -123.14 119.9 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.104 1.362 . . . . 0.0 108.825 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.92 142.08 47.89 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.717 0.675 . . . . 0.0 112.804 -176.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.3 -3.29 19.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.306 1.042 . . . . 0.0 113.603 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -123.6 10.51 9.09 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.461 2.304 . . . . 0.0 113.692 170.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -66.68 -15.92 63.85 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.78 0.28 0.24 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 128.38 2.672 . . . . 0.0 116.747 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.3 ptp -77.1 152.96 34.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.849 1.204 . . . . 0.0 111.875 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -85.8 101.78 13.11 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.45 1.1 . . . . 0.0 110.889 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -51.0 -38.61 52.32 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.185 1.394 . . . . 0.0 113.655 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.3 t -63.25 -48.12 79.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.795 1.638 . . . . 0.0 112.291 174.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.58 -44.42 96.25 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.962 0.905 . . . . 0.0 111.517 175.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.02 -57.34 12.99 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.329 1.052 . . . . 0.0 112.804 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.2 -44.98 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.482 1.037 . . . . 0.0 113.704 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.7 p -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.94 66.99 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.14 0.976 . . . . 0.0 112.068 168.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -54.35 -47.7 72.27 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.918 0.887 . . . . 0.0 112.506 171.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -63.35 -40.12 96.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.733 0.813 . . . . 0.0 112.584 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -59.4 -46.89 87.42 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.028 -1.045 . . . . 0.0 111.826 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -82.21 -0.43 45.16 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -57.48 -27.86 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 120.174 1.352 . . . . 0.0 113.394 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.83 -19.49 6.6 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.881 2.073 . . . . 0.0 114.332 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.85 -33.3 74.97 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.355 1.462 . . . . 0.0 113.43 174.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -140.04 125.29 18.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.565 1.146 . . . . 0.0 112.405 -167.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -35.33 69.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.226 1.01 . . . . 0.0 112.774 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 m -64.52 -27.02 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.695 1.198 . . . . 0.0 113.237 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.53 -27.79 23.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.693 1.597 . . . . 0.0 112.472 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.58 -12.26 59.99 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.292 1.437 . . . . 0.0 113.285 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -131.03 62.81 1.61 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.839 2.055 . . . . 0.0 110.219 172.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.24 170.95 14.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.954 1.701 . . . . 0.0 112.481 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.7 mt -135.75 147.64 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 127.302 2.241 . . . . 0.0 108.479 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 tp -120.92 107.5 12.76 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.606 1.562 . . . . 0.0 110.594 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -96.57 103.07 14.96 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.506 1.922 . . . . 0.0 112.771 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -82.2 122.15 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.025 0.93 . . . . 0.0 111.65 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.7 t -95.05 132.62 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 127.533 2.333 . . . . 0.0 109.636 166.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -75.2 101.87 4.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.278 1.031 . . . . 0.0 110.425 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.95 144.0 32.19 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.53 1.132 . . . . 0.0 112.188 -175.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 160.62 30.1 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.805 1.242 . . . . 0.0 111.722 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.92 143.42 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 110.836 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -145.46 144.59 30.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.573 1.149 . . . . 0.0 111.577 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.8 103.92 10.45 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.372 2.269 . . . . 0.0 110.502 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -82.65 152.17 25.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.008 0.923 . . . . 0.0 112.708 170.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 6.8 t -76.46 156.66 32.88 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.803 0.811 . . . . 0.0 111.718 165.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -62.14 -62.13 1.99 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.686 1.994 . . . . 0.0 114.62 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -129.67 56.2 1.73 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.566 1.546 . . . . 0.0 111.403 -167.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -145.22 -159.23 0.98 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.768 2.027 . . . . 0.0 111.444 -162.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -144.32 18.22 1.72 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.825 1.25 . . . . 0.0 114.356 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -128.86 149.18 50.87 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.631 1.573 . . . . 0.0 112.343 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -137.77 152.2 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.452 1.901 . . . . 0.0 110.232 172.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -140.16 179.82 6.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.572 1.149 . . . . 0.0 113.146 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.3 144.08 27.28 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.252 1.421 . . . . 0.0 111.706 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -69.46 178.15 4.67 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.749 2.966 . . . . 0.0 114.167 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 81.17 -5.54 1.63 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.271 3.029 . . . . 0.0 114.197 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.47 126.82 30.05 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.123 0.969 . . . . 0.0 111.608 173.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -119.21 -36.96 3.27 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.169 1.388 . . . . 0.0 113.887 -176.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -82.16 -20.67 37.44 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.213 1.005 . . . . 0.0 112.512 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -137.44 28.91 2.72 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.416 2.286 . . . . 0.0 112.176 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.29 -3.93 62.78 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.354 1.454 . . . . 0.0 116.564 -173.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -72.04 163.24 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.74 1.27 . . . . 0.0 112.513 169.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 t -61.78 129.24 40.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.348 1.071 . . . . 0.0 110.443 165.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -65.38 -22.63 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.914 0.886 . . . . 0.0 112.619 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -83.99 -53.67 5.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.184 171.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.26 110.04 14.71 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.367 1.867 . . . . 0.0 111.201 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -64.09 58.89 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.417 2.687 . . . . 0.0 116.197 -171.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.5 m -139.3 163.26 32.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.807 2.843 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -106.47 25.18 11.45 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.719 1.607 . . . . 0.0 112.894 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -68.56 -2.74 9.58 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.535 2.334 . . . . 0.0 115.721 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 m -54.38 153.48 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.096 1.758 . . . . 0.0 114.313 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.05 155.2 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.027 1.731 . . . . 0.0 111.956 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.96 109.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.625 1.17 . . . . 0.0 108.492 -175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 t -89.87 -9.54 48.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.393 1.077 . . . . 0.0 112.893 -177.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -158.81 127.6 5.38 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.874 2.07 . . . . 0.0 107.994 -169.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.36 16.9 78.83 Favored Glycine 0 CA--C 1.538 1.48 0 N-CA-C 115.666 1.026 . . . . 0.0 115.666 174.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -64.11 -30.12 71.21 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.558 1.143 . . . . 0.0 112.753 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -144.98 171.71 14.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.068 2.147 . . . . 0.0 111.34 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.01 165.94 22.4 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -154.87 147.65 24.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.515 1.926 . . . . 0.0 111.291 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -70.48 153.56 42.81 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.384 -0.822 . . . . 0.0 111.293 163.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mp -114.43 -56.6 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.746 1.618 . . . . 0.0 110.904 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -159.43 168.98 24.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.957 1.303 . . . . 0.0 111.646 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.6 mt -125.78 110.99 14.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.638 1.575 . . . . 0.0 109.443 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -78.65 132.13 36.94 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.642 -0.661 . . . . 0.0 109.403 170.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.0 mtt -120.68 147.65 44.99 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.393 1.477 . . . . 0.0 111.028 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.88 166.28 15.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.116 0.966 . . . . 0.0 112.176 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.72 -18.11 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.703 2.801 . . . . 0.0 117.164 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 125.399 1.48 . . . . 0.0 111.537 179.748 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -72.33 86.43 1.11 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.908 1.683 . . . . 0.0 112.957 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -141.98 157.97 44.32 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.778 1.631 . . . . 0.0 111.979 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -143.14 -2.27 1.02 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.06 -37.12 76.29 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.289 -1.507 . . . . 0.0 112.836 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -81.3 4.01 22.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.389 1.476 . . . . 0.0 114.298 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 p -54.26 -58.22 8.23 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.548 1.139 . . . . 0.0 112.207 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.89 -47.31 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.196 0.999 . . . . 0.0 110.958 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.13 -61.77 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 124.814 1.246 . . . . 0.0 110.701 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 t -57.86 -42.6 84.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.003 1.321 . . . . 0.0 111.855 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.4 t -60.9 -51.11 70.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.883 0.873 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.11 -45.27 94.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.817 0.847 . . . . 0.0 111.753 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.76 -43.29 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.203 1.001 . . . . 0.0 111.861 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.84 -44.98 82.64 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.656 0.782 . . . . 0.0 112.079 172.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.67 -40.82 98.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.135 0.974 . . . . 0.0 112.502 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -55.12 -54.17 46.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.039 1.291 . . . . 0.0 111.724 171.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.36 -49.87 68.8 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.004 1.322 . . . . 0.0 112.045 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -61.96 -51.59 67.46 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.058 1.343 . . . . 0.0 113.041 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -59.35 -42.68 92.11 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.24 -0.913 . . . . 0.0 112.087 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.01 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.48 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -65.78 -31.57 72.62 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.704 1.138 . . . . 0.0 112.889 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -69.03 -42.75 75.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.779 1.232 . . . . 0.0 110.601 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -82.75 -0.38 47.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.282 1.433 . . . . 0.0 113.509 175.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.85 30.25 13.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.856 2.062 . . . . 0.0 112.782 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.36 -39.39 32.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.636 1.574 . . . . 0.0 112.642 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 55.84 10.33 0.54 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.455 2.302 . . . . 0.0 116.209 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -163.42 173.12 13.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 129.535 3.134 . . . . 0.0 109.808 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.94 166.24 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.844 1.657 . . . . 0.0 109.39 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -108.4 -63.08 1.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.972 -1.08 . . . . 0.0 109.387 163.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -151.78 105.71 3.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.308 1.043 . . . . 0.0 112.561 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.79 143.97 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.961 0.904 . . . . 0.0 109.098 162.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.43 125.11 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.494 1.517 . . . . 0.0 108.582 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.85 144.33 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.333 1.453 . . . . 0.0 110.475 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.33 128.75 9.63 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.173 1.368 . . . . 0.0 111.408 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -127.83 127.52 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.845 1.258 . . . . 0.0 108.433 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.9 143.69 48.87 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.229 0.919 . . . . 0.0 113.126 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.89 -13.28 62.02 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.428 -1.042 . . . . 0.0 113.104 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -113.43 4.46 16.29 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.328 1.851 . . . . 0.0 114.147 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -19.5 65.89 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.55 16.08 2.38 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.495 2.318 . . . . 0.0 115.553 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.2 mtt -73.03 141.07 47.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.5 1.52 . . . . 0.0 111.385 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.11 95.23 3.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.101 0.961 . . . . 0.0 110.696 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -52.83 -37.26 59.81 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.508 1.123 . . . . 0.0 113.5 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.92 -40.35 97.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.838 1.655 . . . . 0.0 112.6 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.47 -49.81 72.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.847 0.859 . . . . 0.0 110.093 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.6 -41.41 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 176.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.4 t -61.6 -32.32 72.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.98 57.25 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.034 0.934 . . . . 0.0 111.575 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -52.9 -48.56 67.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.364 1.066 . . . . 0.0 112.327 173.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.3 -46.26 91.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.826 1.25 . . . . 0.0 112.177 174.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -55.2 -38.43 68.38 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.065 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.25 3.21 44.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.242 1.417 . . . . 0.0 114.217 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -55.29 -29.54 58.39 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.431 1.469 . . . . 0.0 113.987 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.78 -16.97 61.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.984 1.714 . . . . 0.0 114.37 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -83.83 -7.01 59.55 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -130.72 172.1 12.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.447 2.299 . . . . 0.0 110.256 173.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.56 -55.91 3.66 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.113 -0.992 . . . . 0.0 110.332 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 m -69.67 -22.27 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.193 1.797 . . . . 0.0 112.266 -170.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.58 -17.02 56.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.424 1.09 . . . . 0.0 112.215 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -28.43 69.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.952 0.797 . . . . 0.0 112.558 173.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -114.74 81.49 1.57 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.665 1.586 . . . . 0.0 109.706 172.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.43 166.56 27.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.18 1.792 . . . . 0.0 112.338 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mm -137.42 154.74 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 128.337 2.655 . . . . 0.0 107.518 168.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 tt -130.24 127.34 39.41 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.221 1.409 . . . . 0.0 110.783 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -117.46 110.17 17.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.24 1.816 . . . . 0.0 112.185 -171.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.24 103.41 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.324 1.05 . . . . 0.0 111.594 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.68 124.65 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.616 1.966 . . . . 0.0 110.419 166.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.55 100.28 4.52 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.339 1.455 . . . . 0.0 110.959 171.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.53 136.78 36.98 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.178 -0.951 . . . . 0.0 112.325 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 164.62 14.39 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.177 1.391 . . . . 0.0 111.713 169.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.73 150.03 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.643 1.577 . . . . 0.0 112.383 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.29 144.67 27.76 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.208 1.003 . . . . 0.0 111.657 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.54 110.25 16.67 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.116 2.166 . . . . 0.0 110.461 -172.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -93.35 153.49 18.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.722 0.809 . . . . 0.0 112.314 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.7 t -74.81 155.98 37.0 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.847 0.832 . . . . 0.0 111.616 166.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.95 -67.01 0.41 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 114.654 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -127.04 58.41 1.44 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.697 1.599 . . . . 0.0 110.82 -170.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.04 -157.56 0.8 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.487 1.915 . . . . 0.0 111.238 -163.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 t -135.48 -2.96 2.41 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -110.4 155.5 22.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.223 1.409 . . . . 0.0 114.155 -172.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 t -144.31 135.92 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 128.172 2.589 . . . . 0.0 109.431 -178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -136.49 177.69 7.65 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.058 1.343 . . . . 0.0 113.246 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 143.58 26.35 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 0.0 112.741 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -71.82 -177.15 2.37 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.63 2.887 . . . . 0.0 113.639 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 77.59 -10.4 1.36 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 129.274 3.03 . . . . 0.0 114.291 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.66 125.19 22.94 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.125 1.37 . . . . 0.0 112.288 173.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -119.69 -35.48 3.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.427 1.491 . . . . 0.0 113.903 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -79.69 -21.04 45.16 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.146 0.978 . . . . 0.0 112.54 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -138.92 32.9 2.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.093 2.157 . . . . 0.0 112.48 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.58 -6.11 57.81 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.147 1.356 . . . . 0.0 116.41 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.3 m -73.69 161.99 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 0.0 112.681 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.69 131.08 49.59 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.312 1.053 . . . . 0.0 110.513 163.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.1 -35.42 76.96 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.252 1.021 . . . . 0.0 111.79 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -78.23 -46.18 21.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.85 107.91 9.46 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.3 1.84 . . . . 0.0 111.33 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -64.57 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.006 2.522 . . . . 0.0 116.55 -169.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -137.59 156.36 48.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.637 2.775 . . . . 0.0 110.624 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -94.25 22.78 5.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.795 1.638 . . . . 0.0 113.693 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -68.4 -0.99 5.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.984 2.113 . . . . 0.0 116.055 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 20.3 m -54.94 153.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.809 1.644 . . . . 0.0 114.402 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.333 1.853 . . . . 0.0 112.569 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.43 108.11 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.239 1.416 . . . . 0.0 108.346 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -92.88 -9.04 41.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.327 1.051 . . . . 0.0 112.864 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -154.95 130.1 9.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.25 1.82 . . . . 0.0 108.099 -170.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.6 15.72 81.32 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.312 0.958 . . . . 0.0 115.235 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -71.41 -28.24 63.87 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.315 1.046 . . . . 0.0 112.8 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.88 168.84 21.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.661 1.984 . . . . 0.0 111.901 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -82.05 161.82 22.79 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.757 1.223 . . . . 0.0 113.915 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -158.25 155.64 29.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.457 1.903 . . . . 0.0 112.055 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -65.61 158.11 28.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.235 -0.916 . . . . 0.0 112.039 167.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.3 -60.49 1.41 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.018 1.327 . . . . 0.0 111.739 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.9 m -145.96 167.5 23.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.78 1.232 . . . . 0.0 112.748 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.7 104.57 5.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 108.939 168.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -76.33 142.54 41.22 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.621 0.769 . . . . 0.0 110.242 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.1 152.56 50.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.618 1.567 . . . . 0.0 110.849 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.47 75.56 4.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.573 1.149 . . . . 0.0 112.359 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.13 -21.9 61.4 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.994 1.317 . . . . 0.0 113.815 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 C-N-CA 125.06 1.344 . . . . 0.0 111.873 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 t60 . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.66 -21.31 60.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.023 1.329 . . . . 0.0 114.52 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.06 -2.81 23.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.237 1.415 . . . . 0.0 113.53 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.3 t -61.87 -54.19 45.48 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.929 0.892 . . . . 0.0 111.047 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 p -57.29 -43.27 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.571 1.148 . . . . 0.0 112.474 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.82 -66.29 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 127.684 2.394 . . . . 0.0 111.359 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.7 t -50.63 -44.4 57.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.166 1.386 . . . . 0.0 112.153 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -56.87 -56.68 18.5 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.294 1.037 . . . . 0.0 112.134 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.63 -47.84 81.11 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.89 -41.74 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.652 0.781 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.334 -0.853 . . . . 0.0 112.521 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.26 -47.01 86.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.627 1.171 . . . . 0.0 112.396 174.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.0 m -50.85 -53.09 35.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.888 0.875 . . . . 0.0 112.124 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.58 -45.18 92.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.369 1.068 . . . . 0.0 112.229 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -66.54 -35.65 80.76 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.015 1.326 . . . . 0.0 113.778 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -68.39 -44.2 75.61 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.019 -1.051 . . . . 0.0 111.994 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.87 84.87 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -67.26 -35.05 78.71 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.808 0.731 . . . . 0.0 112.814 171.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.3 -39.86 38.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.801 1.24 . . . . 0.0 111.216 -172.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -78.56 -3.71 45.07 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.249 1.42 . . . . 0.0 112.978 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 55.48 29.42 13.28 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.859 2.063 . . . . 0.0 112.46 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.28 -37.11 26.35 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.986 1.714 . . . . 0.0 111.886 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 49.89 22.64 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.94 2.096 . . . . 0.0 115.031 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -149.58 169.92 19.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.136 2.574 . . . . 0.0 110.625 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mm -119.48 171.56 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 127.561 2.344 . . . . 0.0 108.177 164.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -125.14 -51.48 1.66 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.797 1.639 . . . . 0.0 110.494 165.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -144.61 156.93 44.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.334 1.453 . . . . 0.0 110.766 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 m -126.36 148.06 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.393 1.077 . . . . 0.0 109.187 157.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -127.12 129.06 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.147 1.379 . . . . 0.0 108.742 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 p -127.51 156.46 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.992 1.317 . . . . 0.0 110.749 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.13 114.47 2.7 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 125.509 1.528 . . . . 0.0 110.305 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.7 mt -112.85 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.975 1.31 . . . . 0.0 109.068 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 141.99 42.23 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.247 0.927 . . . . 0.0 112.266 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -77.23 -1.01 27.37 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.619 -0.93 . . . . 0.0 112.952 -168.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -114.62 -1.25 13.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 128.308 2.643 . . . . 0.0 113.496 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.5 p -67.05 -20.15 65.79 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.37 9.96 0.84 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 127.92 2.488 . . . . 0.0 115.666 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.4 mtm -75.59 138.37 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.172 0.989 . . . . 0.0 111.614 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.66 108.18 9.49 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.937 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.15 -39.76 57.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.122 . . . . 0.0 113.119 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.3 t -60.19 -44.65 94.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.636 1.975 . . . . 0.0 112.738 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 tp -64.17 -48.77 74.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.072 0.949 . . . . 0.0 111.642 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.419 ' CE2' HD21 ' A' ' 65' ' ' LEU . 48.9 t80 -58.9 -52.81 64.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.639 0.775 . . . . 0.0 112.587 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.54 -42.41 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.341 0.973 . . . . 0.0 113.325 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -60.38 -34.48 73.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 117.949 0.341 . . . . 0.0 111.701 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.97 65.89 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.472 -0.767 . . . . 0.0 112.105 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -55.23 -47.73 74.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.859 1.264 . . . . 0.0 113.421 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -32.7 74.46 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.998 1.319 . . . . 0.0 112.823 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.7 m -67.37 -56.67 8.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.67 1.188 . . . . 0.0 111.581 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -73.86 -8.15 54.97 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -36.81 30.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.646 1.978 . . . . 0.0 112.646 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -63.49 -10.83 19.51 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.746 2.418 . . . . 0.0 115.348 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.61 -28.56 68.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.107 0.963 . . . . 0.0 113.163 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -138.72 129.54 26.45 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.887 1.275 . . . . 0.0 111.974 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -35.29 80.04 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.998 -1.064 . . . . 0.0 113.185 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.05 -24.79 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.191 1.396 . . . . 0.0 112.56 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.41 -28.47 37.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.796 1.638 . . . . 0.0 113.241 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -68.19 -27.3 66.28 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -168.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -89.62 73.48 7.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.116 1.367 . . . . 0.0 110.774 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.41 166.08 34.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.167 1.387 . . . . 0.0 112.387 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.6 mm -138.26 148.99 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.784 2.034 . . . . 0.0 109.022 165.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 46' ' ' PHE . 2.8 tp -109.25 118.85 37.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.784 2.034 . . . . 0.0 110.749 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.6 111.28 23.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.82 2.048 . . . . 0.0 112.172 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.93 107.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.489 1.116 . . . . 0.0 112.061 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.99 122.19 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.051 1.341 . . . . 0.0 110.133 164.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.11 106.69 4.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.982 1.313 . . . . 0.0 110.261 168.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -96.65 148.23 23.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.127 0.971 . . . . 0.0 112.717 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.87 179.43 7.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.417 1.487 . . . . 0.0 112.609 -176.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.6 t -112.41 140.34 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.572 1.549 . . . . 0.0 110.826 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.18 136.82 28.54 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.105 1.362 . . . . 0.0 112.254 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -111.29 113.01 25.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.007 2.123 . . . . 0.0 110.707 -174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.12 149.43 21.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.389 1.476 . . . . 0.0 111.407 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 4.4 t -96.33 139.79 31.94 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.009 0.924 . . . . 0.0 111.904 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -55.48 -70.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.993 2.517 . . . . 0.0 115.056 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -112.28 25.53 11.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.054 2.142 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 5.5 t -115.55 -146.32 0.4 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.719 2.808 . . . . 0.0 110.909 -160.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t -158.25 42.34 0.28 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.849 . . . . 0.0 112.493 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -146.48 156.57 43.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.8 t -146.61 134.35 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 127.801 2.441 . . . . 0.0 109.732 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -143.88 177.58 8.44 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.561 1.144 . . . . 0.0 113.844 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.93 143.3 25.89 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.135 1.774 . . . . 0.0 112.363 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -70.54 108.65 2.27 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.833 2.355 . . . . 0.0 111.285 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.757 1.223 . . . . 0.0 112.495 -175.684 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.482 0 N-CA-C 115.429 0.931 . . . . 0.0 115.429 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 m -66.34 162.43 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.032 1.733 . . . . 0.0 112.428 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 147.53 53.31 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.22 1.01 . . . . 0.0 111.535 172.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.46 -44.59 86.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.049 0.94 . . . . 0.0 112.064 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -74.98 -56.33 4.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.3 p -113.72 123.21 49.33 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.211 1.404 . . . . 0.0 112.009 -172.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -79.59 67.97 5.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.248 -1.532 . . . . 0.0 113.41 -168.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.1 t -144.79 164.37 31.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.329 1.852 . . . . 0.0 110.966 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -104.77 21.63 16.59 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.52 1.928 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -65.74 -4.95 7.32 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.756 2.022 . . . . 0.0 115.229 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.79 152.51 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 126.067 1.747 . . . . 0.0 113.684 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.09 156.25 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.39 1.476 . . . . 0.0 112.735 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.4 mm -70.22 109.86 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.828 1.251 . . . . 0.0 109.276 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.9 t -94.08 -11.5 30.48 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.245 0.545 . . . . 0.0 112.01 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -160.18 129.66 5.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.135 2.174 . . . . 0.0 107.725 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.13 -32.33 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.612 1.101 . . . . 0.0 114.223 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.24 -23.55 26.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.371 1.069 . . . . 0.0 113.468 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.22 138.23 54.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.045 1.338 . . . . 0.0 112.181 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.36 155.06 23.72 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.258 1.423 . . . . 0.0 111.649 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -151.38 157.04 41.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 111.525 168.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -67.95 145.03 54.92 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.957 -0.464 . . . . 0.0 111.083 163.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -105.62 -55.52 2.31 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.077 1.351 . . . . 0.0 111.102 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 t -162.13 170.69 18.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.271 1.429 . . . . 0.0 111.323 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mt -128.97 163.0 26.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.37 1.468 . . . . 0.0 110.321 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -136.6 150.17 48.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 111.106 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.9 mtt -129.42 151.52 49.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.273 1.829 . . . . 0.0 111.206 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 126.252 1.821 . . . . 0.0 109.109 178.927 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t60 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -59.52 -22.66 61.96 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.751 -1.218 . . . . 0.0 113.99 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -91.31 5.16 50.34 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.731 1.613 . . . . 0.0 113.584 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -54.84 -55.85 25.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 111.518 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -56.6 -48.8 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.046 0.538 . . . . 0.0 110.931 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.19 -57.27 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 125.271 1.428 . . . . 0.0 111.591 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 t -57.9 -43.97 86.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.983 1.313 . . . . 0.0 111.844 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -64.39 -39.01 93.02 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -54.7 44.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.473 1.509 . . . . 0.0 110.164 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -55.13 -48.59 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.279 1.431 . . . . 0.0 111.62 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.73 86.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.34 1.056 . . . . 0.0 113.242 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.92 -50.77 72.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.563 1.145 . . . . 0.0 111.331 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.23 -47.39 75.42 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.902 0.881 . . . . 0.0 112.924 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.44 -54.69 37.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.758 1.223 . . . . 0.0 111.435 173.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.01 -48.28 82.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.603 1.161 . . . . 0.0 112.909 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -60.69 -42.27 96.83 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.449 -0.782 . . . . 0.0 111.76 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.14 78.02 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.672 -0.643 . . . . 0.0 112.701 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -66.25 -32.47 73.91 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.664 1.12 . . . . 0.0 112.82 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.42 -37.74 60.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.898 0.879 . . . . 0.0 111.501 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.49 -2.13 40.67 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.188 1.395 . . . . 0.0 112.938 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 56.17 27.31 11.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.907 2.083 . . . . 0.0 112.69 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.46 -34.87 41.15 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.583 1.553 . . . . 0.0 111.942 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.7 m80 55.68 9.84 0.46 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.442 2.297 . . . . 0.0 115.586 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -153.61 171.17 19.2 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 128.452 2.701 . . . . 0.0 110.558 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 mt -103.72 162.1 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.86 1.264 . . . . 0.0 108.601 166.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -99.85 -57.67 2.09 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.148 -0.97 . . . . 0.0 109.027 156.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -144.21 153.7 42.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.886 1.274 . . . . 0.0 112.632 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -123.31 147.25 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.519 1.927 . . . . 0.0 109.874 163.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.51 119.03 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.99 1.316 . . . . 0.0 109.711 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 p -107.43 141.71 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.426 1.491 . . . . 0.0 110.959 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -107.71 119.83 5.9 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 126.093 1.806 . . . . 0.0 110.748 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.5 122.9 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.842 1.257 . . . . 0.0 108.608 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.02 143.64 46.76 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 123.295 0.474 . . . . 0.0 112.499 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -68.9 -12.79 61.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.467 -1.019 . . . . 0.0 112.872 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -116.8 8.85 13.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.958 2.103 . . . . 0.0 114.081 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -66.02 -14.61 61.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.68 13.55 2.7 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.549 2.34 . . . . 0.0 115.873 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtt -76.18 173.4 11.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.612 1.565 . . . . 0.0 111.714 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -124.48 102.65 7.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.734 1.214 . . . . 0.0 111.275 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -56.56 -33.92 66.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.567 1.547 . . . . 0.0 114.198 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.1 t -65.62 -44.45 86.48 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.674 1.19 . . . . 0.0 110.918 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.42 -45.16 94.36 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.072 -0.393 . . . . 0.0 110.308 171.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -59.74 -54.32 47.66 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.492 0.495 . . . . 0.0 111.847 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.22 -42.45 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -61.4 -32.54 72.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.167 0.44 . . . . 0.0 111.814 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.49 62.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.227 1.011 . . . . 0.0 111.615 173.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -53.33 -50.24 65.4 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.73 0.695 . . . . 0.0 112.484 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.45 -34.54 77.98 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.377 1.071 . . . . 0.0 113.156 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.6 m -64.31 -50.24 68.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.316 -0.865 . . . . 0.0 111.474 171.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.55 -8.18 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.022 1.329 . . . . 0.0 114.347 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -54.45 -27.75 39.5 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.968 1.307 . . . . 0.0 113.729 -172.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.2 6.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.492 1.917 . . . . 0.0 114.063 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.35 -18.56 50.85 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.006 1.722 . . . . 0.0 114.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 t -147.04 134.82 21.19 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.3 -28.39 66.73 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.852 1.261 . . . . 0.0 113.331 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.26 -33.75 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.019 0.827 . . . . 0.0 111.83 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.5 m -81.19 -24.91 37.16 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.769 1.627 . . . . 0.0 113.177 -173.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -69.33 -10.55 58.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.589 1.556 . . . . 0.0 114.671 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -137.29 57.92 1.73 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.828 1.651 . . . . 0.0 111.174 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.07 17.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.532 1.533 . . . . 0.0 113.337 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.01 141.29 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.112 1.765 . . . . 0.0 110.479 174.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tp -113.19 107.71 16.28 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.963 1.705 . . . . 0.0 109.506 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.44 145.13 24.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.518 1.127 . . . . 0.0 111.957 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mm -103.72 146.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.571 1.548 . . . . 0.0 110.755 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.48 121.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.821 2.049 . . . . 0.0 109.155 166.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.22 99.73 1.96 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.155 0.982 . . . . 0.0 110.045 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.76 136.75 43.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.889 1.275 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.59 164.16 10.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.727 0.811 . . . . 0.0 111.211 170.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.28 159.98 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.804 1.241 . . . . 0.0 112.257 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -153.2 139.54 18.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.204 0.601 . . . . 0.0 112.493 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.7 mt -110.26 101.04 9.82 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 127.944 2.498 . . . . 0.0 111.125 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.43 146.25 28.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 170.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.82 150.04 25.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.062 1.345 . . . . 0.0 113.009 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.54 -59.52 5.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.351 1.861 . . . . 0.0 114.789 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.16 58.04 1.73 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.658 1.583 . . . . 0.0 111.178 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.74 -154.33 0.51 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.424 1.89 . . . . 0.0 111.144 -165.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 p -149.96 16.85 0.87 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.52 1.528 . . . . 0.0 113.294 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -136.07 150.52 49.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.242 1.817 . . . . 0.0 111.8 -171.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.13 151.93 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.995 1.718 . . . . 0.0 110.304 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.75 -175.88 4.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.674 1.59 . . . . 0.0 111.565 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -118.89 145.37 37.72 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.443 1.097 . . . . 0.0 112.082 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.61 111.61 1.93 Allowed 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.816 3.011 . . . . 0.0 112.278 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 125.055 1.342 . . . . 0.0 112.137 177.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.66 0 N-CA-C 115.787 1.075 . . . . 0.0 115.787 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.65 167.08 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.547 1.939 . . . . 0.0 112.034 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.26 135.53 57.76 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.192 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.26 -39.82 88.13 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.394 1.077 . . . . 0.0 111.971 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -72.88 -60.92 2.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.805 1.242 . . . . 0.0 112.209 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.7 p -116.16 105.93 13.15 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.744 1.618 . . . . 0.0 111.375 -168.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -61.48 64.76 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 128.331 2.652 . . . . 0.0 116.14 -171.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 m -145.19 159.6 42.75 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 128.172 2.589 . . . . 0.0 111.163 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -95.06 21.39 7.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.101 2.161 . . . . 0.0 113.425 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.59 -4.91 9.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.551 1.941 . . . . 0.0 115.791 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.57 157.59 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.838 1.655 . . . . 0.0 114.462 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.25 154.34 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.145 1.778 . . . . 0.0 112.128 176.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.45 108.26 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.948 1.299 . . . . 0.0 108.386 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.4 t -93.81 -4.43 50.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 113.018 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -158.05 127.31 5.78 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.426 1.89 . . . . 0.0 108.135 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.31 19.08 79.8 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 115.548 0.979 . . . . 0.0 115.548 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -65.41 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.498 1.119 . . . . 0.0 112.274 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -146.73 170.94 15.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.416 1.887 . . . . 0.0 111.91 175.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -71.45 165.66 23.35 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -155.87 161.71 40.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.668 2.387 . . . . 0.0 111.203 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -69.99 157.0 38.31 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.29 -0.881 . . . . 0.0 111.211 157.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.05 -52.82 2.29 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.566 1.146 . . . . 0.0 111.595 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.2 t -159.36 171.96 18.84 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 112.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -133.51 163.49 29.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.069 1.748 . . . . 0.0 110.423 165.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.13 147.97 39.33 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.454 1.502 . . . . 0.0 110.44 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -128.01 161.59 28.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.219 1.408 . . . . 0.0 111.065 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 126.612 1.965 . . . . 0.0 113.926 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t60 . . . . . 0 CA--C 1.55 0.954 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -38.39 5.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.598 2.359 . . . . 0.0 112.312 174.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.94 -3.45 25.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.792 1.237 . . . . 0.0 114.115 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.3 p -52.61 -54.06 38.3 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.354 1.862 . . . . 0.0 112.432 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.58 -51.07 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.582 0.753 . . . . 0.0 110.406 171.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.8 -60.52 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.472 1.109 . . . . 0.0 111.642 -168.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -40.07 76.36 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.757 1.223 . . . . 0.0 112.074 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -60.79 -39.2 87.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.784 -0.573 . . . . 0.0 112.06 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -52.15 66.21 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.144 1.378 . . . . 0.0 111.456 172.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.75 -50.72 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.453 0.701 . . . . 0.0 111.014 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.04 79.34 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.375 1.07 . . . . 0.0 112.887 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.85 -41.9 97.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.077 1.351 . . . . 0.0 112.107 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -50.35 73.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.419 1.487 . . . . 0.0 111.826 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.24 -48.32 79.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.564 1.146 . . . . 0.0 112.067 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.1 -46.76 87.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.29 1.036 . . . . 0.0 112.905 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -60.57 -42.03 95.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.247 -0.908 . . . . 0.0 111.978 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.97 89.86 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -67.13 -31.04 71.23 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.366 0.985 . . . . 0.0 113.08 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -72.59 -42.87 64.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -81.04 -1.32 43.57 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.663 1.185 . . . . 0.0 113.367 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 56.18 29.55 14.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.864 2.065 . . . . 0.0 112.798 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.99 -41.1 23.27 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.626 1.57 . . . . 0.0 112.51 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 54.2 2.1 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.366 2.667 . . . . 0.0 117.339 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -143.03 161.87 36.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.312 2.645 . . . . 0.0 109.762 165.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mm -112.81 168.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.507 1.523 . . . . 0.0 110.127 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -122.73 -53.23 1.88 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.715 1.606 . . . . 0.0 111.173 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -158.4 108.81 2.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.228 1.011 . . . . 0.0 112.85 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.23 138.13 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.72 125.71 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.297 1.439 . . . . 0.0 109.613 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.0 136.89 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.584 1.554 . . . . 0.0 109.945 -169.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.88 107.12 2.92 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.635 1.588 . . . . 0.0 111.54 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mt -109.67 129.27 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.859 1.264 . . . . 0.0 108.36 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.24 46.88 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.989 -0.444 . . . . 0.0 112.582 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.13 -9.09 51.07 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.247 -1.149 . . . . 0.0 113.139 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -117.59 10.41 13.44 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.05 2.14 . . . . 0.0 114.088 170.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -68.42 -4.62 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.51 24.15 8.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.876 2.07 . . . . 0.0 115.556 171.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ptp -119.42 129.97 55.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.792 1.637 . . . . 0.0 111.602 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -73.99 111.0 8.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.706 1.203 . . . . 0.0 111.586 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -54.78 -29.64 54.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.361 1.465 . . . . 0.0 114.468 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.8 t -59.44 -37.58 78.49 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.645 1.578 . . . . 0.0 112.572 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.88 -45.11 79.08 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.633 -0.667 . . . . 0.0 109.79 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.86 -51.9 66.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.816 -171.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.64 -42.37 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -60.31 -34.34 73.66 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.135 0.425 . . . . 0.0 111.872 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.56 64.33 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.78 0.832 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.59 -46.7 73.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.359 1.063 . . . . 0.0 112.711 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -57.46 -42.0 81.66 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.884 1.674 . . . . 0.0 112.624 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -66.02 -54.03 31.17 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.696 1.198 . . . . 0.0 112.37 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -73.52 -2.23 21.83 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -32.44 17.45 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.258 1.423 . . . . 0.0 114.449 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.75 -18.3 65.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.448 1.899 . . . . 0.0 113.958 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -64.22 -8.72 13.49 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.721 1.609 . . . . 0.0 113.414 168.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 p -128.41 -173.92 3.09 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.584 2.354 . . . . 0.0 112.26 170.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.67 -48.91 4.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.199 0.6 . . . . 0.0 111.913 154.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -60.67 -29.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.764 1.226 . . . . 0.0 113.113 -170.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -13.62 57.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.473 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -63.68 -37.45 87.4 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.333 -0.854 . . . . 0.0 111.845 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -98.34 65.32 1.66 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.173 1.389 . . . . 0.0 110.691 165.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.01 155.07 42.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.214 1.405 . . . . 0.0 112.282 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.88 150.3 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 127.932 2.493 . . . . 0.0 108.511 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 tt -123.77 132.37 53.78 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.631 1.573 . . . . 0.0 111.302 -177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.38 107.83 11.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.429 1.891 . . . . 0.0 111.424 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.67 110.8 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.656 0.782 . . . . 0.0 111.583 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.35 129.31 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.051 1.74 . . . . 0.0 109.988 165.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -77.41 101.28 6.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.748 1.219 . . . . 0.0 110.817 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.58 142.04 33.18 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.858 1.263 . . . . 0.0 112.216 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.1 163.12 28.61 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 112.359 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.6 t -128.11 140.67 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.486 1.514 . . . . 0.0 110.41 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -133.71 134.01 42.51 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.599 1.16 . . . . 0.0 112.276 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.04 102.36 10.83 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.988 1.715 . . . . 0.0 111.797 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -87.49 148.09 25.09 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 127.001 2.12 . . . . 0.0 111.985 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 3.9 t -84.85 153.3 23.01 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.309 1.043 . . . . 0.0 113.221 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.26 -61.41 2.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.553 1.941 . . . . 0.0 114.576 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -130.05 58.45 1.66 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.722 1.609 . . . . 0.0 111.146 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.424 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.52 -157.95 0.82 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.96 2.104 . . . . 0.0 111.512 -165.012 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -149.65 37.69 0.74 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.87 1.268 . . . . 0.0 111.849 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -147.95 147.96 30.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.945 1.298 . . . . 0.0 112.586 -172.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.85 154.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 126.409 1.883 . . . . 0.0 110.748 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -144.61 178.23 8.12 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.899 1.279 . . . . 0.0 114.086 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.86 134.02 36.3 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 126.812 2.045 . . . . 0.0 111.144 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.36 118.3 5.27 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.986 2.457 . . . . 0.0 112.166 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 CA--C 1.546 0.807 0 C-N-CA 124.652 1.181 . . . . 0.0 112.233 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.206 0 N-CA-C 113.858 0.303 . . . . 0.0 113.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.52 161.87 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 126.674 1.989 . . . . 0.0 112.685 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.33 140.2 58.65 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 122.075 0.94 . . . . 0.0 111.375 169.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.52 -40.21 93.81 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.248 1.019 . . . . 0.0 111.93 -175.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -75.75 -56.53 4.59 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.441 1.096 . . . . 0.0 112.076 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.81 111.77 20.18 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.799 1.64 . . . . 0.0 112.061 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -65.25 57.67 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.663 2.785 . . . . 0.0 116.0 -171.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.5 m -140.4 155.64 46.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.482 2.313 . . . . 0.0 111.296 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -88.6 20.62 3.32 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 126.027 1.731 . . . . 0.0 113.638 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.74 -4.17 8.4 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.1 156.65 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.786 1.635 . . . . 0.0 114.409 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.62 156.58 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.542 1.937 . . . . 0.0 111.93 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.483 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.8 mp -76.55 113.14 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.033 1.333 . . . . 0.0 108.544 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 t -95.07 -12.24 26.88 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 0.0 112.613 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.95 134.11 9.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 126.643 1.977 . . . . 0.0 107.61 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.62 5.97 73.99 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -64.3 -45.9 85.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.296 1.839 . . . . 0.0 112.727 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -136.18 162.52 32.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.66 1.584 . . . . 0.0 112.595 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.0 ptm -78.48 164.6 24.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.01 1.324 . . . . 0.0 114.391 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -148.78 165.31 31.83 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.979 2.112 . . . . 0.0 112.111 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.9 156.81 31.8 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 164.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.56 -45.46 2.19 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.853 1.261 . . . . 0.0 112.249 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -158.8 169.3 24.68 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.322 1.049 . . . . 0.0 112.55 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mp -138.36 98.65 3.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.106 1.763 . . . . 0.0 107.97 164.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -75.01 132.01 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.857 0.863 . . . . 0.0 108.881 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.5 ptp -143.02 136.92 28.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.21 1.404 . . . . 0.0 110.771 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 126.021 1.728 . . . . 0.0 112.681 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.1 -17.29 64.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -103.5 -3.05 25.85 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.153 1.381 . . . . 0.0 113.541 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -58.4 -50.24 74.38 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.208 1.003 . . . . 0.0 110.9 173.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -55.74 -52.74 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.36 -59.44 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.751 1.62 . . . . 0.0 111.028 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 t -58.97 -41.52 87.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.195 1.398 . . . . 0.0 111.726 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 t -61.2 -52.49 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.708 0.803 . . . . 0.0 111.74 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -56.37 20.92 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.953 1.301 . . . . 0.0 110.517 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.72 -48.61 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.867 1.667 . . . . 0.0 111.711 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.65 92.18 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.95 -46.95 87.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.756 . . . . 0.0 111.443 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -52.76 -49.32 65.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.383 1.473 . . . . 0.0 112.197 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.64 -36.9 79.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.945 1.298 . . . . 0.0 113.184 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -46.28 77.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -61.5 -41.56 97.48 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.09 0.556 . . . . 0.0 111.932 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.71 53.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.513 0.725 . . . . 0.0 112.318 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -62.1 -32.29 72.83 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -73.06 -37.75 66.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.982 0.913 . . . . 0.0 111.311 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -81.99 -1.34 47.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.727 1.611 . . . . 0.0 113.489 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.67 32.63 17.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.905 2.082 . . . . 0.0 112.676 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.29 59.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -171.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 56.33 4.15 0.13 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.461 2.304 . . . . 0.0 116.461 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -163.67 170.49 17.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.655 2.382 . . . . 0.0 111.409 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -131.52 151.04 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.81 2.044 . . . . 0.0 109.442 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.24 -60.4 1.8 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.405 0.682 . . . . 0.0 110.077 166.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -154.16 165.35 36.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 m -126.63 118.03 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.093 2.157 . . . . 0.0 109.779 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -91.27 127.58 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.279 1.431 . . . . 0.0 109.853 -173.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.17 121.57 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.544 1.137 . . . . 0.0 110.974 -173.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.21 119.71 5.53 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.618 1.58 . . . . 0.0 112.038 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.0 mt -128.81 129.61 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.794 1.637 . . . . 0.0 109.941 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.57 143.72 46.34 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 123.593 0.616 . . . . 0.0 112.831 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -28.63 49.53 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.727 -1.455 . . . . 0.0 113.647 -173.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -93.46 1.49 56.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.993 2.117 . . . . 0.0 113.9 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -66.7 -21.42 66.09 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.25 22.62 3.76 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.835 2.054 . . . . 0.0 115.144 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -58.19 136.17 57.22 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.843 1.257 . . . . 0.0 112.243 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.72 61.45 1.39 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.47 1.908 . . . . 0.0 111.94 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -53.96 -33.54 57.21 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.133 2.573 . . . . 0.0 114.715 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -61.87 -44.1 97.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.167 1.387 . . . . 0.0 112.112 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -66.54 -42.91 86.47 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.628 -0.67 . . . . 0.0 110.094 172.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.72 -54.76 43.48 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.681 -173.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.72 -42.78 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -61.32 -32.14 72.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.855 0.359 . . . . 0.0 111.891 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -46.44 58.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.231 1.012 . . . . 0.0 111.645 173.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -52.56 -47.9 66.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.587 0.755 . . . . 0.0 112.433 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.12 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.324 1.05 . . . . 0.0 112.549 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 m -58.54 -43.47 89.3 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.028 -1.045 . . . . 0.0 111.895 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -81.99 -2.39 51.42 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.265 1.426 . . . . 0.0 114.329 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -61.11 -25.97 67.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.512 1.506 . . . . 0.0 113.735 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.54 -22.62 66.16 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.917 1.687 . . . . 0.0 113.378 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.31 -16.49 59.76 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.3 m -134.03 115.86 14.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.599 1.56 . . . . 0.0 110.031 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.44 -31.43 71.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -164.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 m -72.7 -26.04 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.175 1.79 . . . . 0.0 112.524 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.1 -15.69 40.37 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.669 1.588 . . . . 0.0 112.981 -171.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -32.97 62.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.569 1.077 . . . . 0.0 113.462 173.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -87.15 -9.2 55.87 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.974 1.31 . . . . 0.0 114.217 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 162.59 28.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.7 mt -135.36 140.91 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 127.384 2.274 . . . . 0.0 108.365 172.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 129.75 34.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.632 0.773 . . . . 0.0 109.598 173.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -118.91 85.2 2.32 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.482 1.513 . . . . 0.0 111.61 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.69 129.69 36.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 111.34 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.62 118.17 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.951 2.1 . . . . 0.0 110.059 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -75.47 96.07 3.4 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.624 1.97 . . . . 0.0 112.522 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.12 130.79 35.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.218 1.407 . . . . 0.0 112.645 176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -60.71 131.7 51.54 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.283 1.033 . . . . 0.0 110.776 166.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.93 153.07 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.917 1.287 . . . . 0.0 110.733 169.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.53 145.71 31.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.763 0.825 . . . . 0.0 113.153 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.23 117.89 30.8 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.684 2.393 . . . . 0.0 110.434 -173.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -98.96 156.39 16.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.852 0.861 . . . . 0.0 111.949 169.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.2 t -80.54 160.5 25.16 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.81 0.814 . . . . 0.0 112.048 168.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -66.1 -69.95 0.27 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.911 2.085 . . . . 0.0 113.906 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.16 59.01 1.09 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.257 1.823 . . . . 0.0 110.659 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.69 -155.24 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.942 2.097 . . . . 0.0 110.608 -165.044 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 p -147.9 18.48 1.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.696 1.598 . . . . 0.0 113.309 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -131.26 152.58 50.39 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.249 1.42 . . . . 0.0 113.378 -170.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.4 t -146.0 137.9 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.962 2.505 . . . . 0.0 109.602 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -142.97 177.86 8.07 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.311 1.445 . . . . 0.0 113.199 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 143.28 26.4 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 125.748 1.619 . . . . 0.0 112.146 177.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.18 113.8 3.8 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.12 2.547 . . . . 0.0 113.253 -167.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.4 m120 . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 126.678 1.991 . . . . 0.0 109.966 169.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.761 0 N-CA-C 115.441 0.936 . . . . 0.0 115.441 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -69.17 168.66 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.698 1.999 . . . . 0.0 113.403 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -62.11 135.58 57.58 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 121.994 0.902 . . . . 0.0 110.858 167.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.99 -39.82 91.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.251 1.02 . . . . 0.0 112.006 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -72.49 -59.35 2.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.082 1.353 . . . . 0.0 112.277 173.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -117.75 112.32 20.28 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.307 1.443 . . . . 0.0 111.676 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -74.87 68.38 1.75 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -163.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -141.58 160.9 39.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.161 2.184 . . . . 0.0 111.361 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -91.25 13.73 16.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.9 2.08 . . . . 0.0 113.924 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -65.49 -8.01 17.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.253 1.821 . . . . 0.0 115.847 -173.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.1 m -54.84 151.5 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.987 1.715 . . . . 0.0 113.77 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.95 154.19 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.676 1.59 . . . . 0.0 112.261 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -78.7 109.08 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.589 1.156 . . . . 0.0 108.41 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.02 -9.33 53.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.91 0.884 . . . . 0.0 112.809 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -161.93 126.97 3.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.545 . . . . 0.0 108.785 -167.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.83 12.37 81.45 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.468 1.033 . . . . 0.0 115.375 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -57.74 -37.68 74.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.5 1.52 . . . . 0.0 112.862 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -145.76 171.57 14.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.175 2.19 . . . . 0.0 110.703 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.96 152.46 24.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.211 1.004 . . . . 0.0 111.909 -176.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -160.46 165.67 30.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.875 1.27 . . . . 0.0 113.273 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.95 155.61 13.08 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.36 0.664 . . . . 0.0 111.993 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -128.66 -49.01 1.26 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.653 1.181 . . . . 0.0 112.015 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.4 p -164.06 179.32 7.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.304 1.842 . . . . 0.0 111.418 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 mp -137.07 163.78 29.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.589 1.156 . . . . 0.0 110.668 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.69 146.65 38.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.987 1.315 . . . . 0.0 111.784 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.71 151.01 51.96 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.129 1.772 . . . . 0.0 111.342 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.35 1.46 . . . . 0.0 109.615 178.423 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -52.55 -59.42 4.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.666 1.586 . . . . 0.0 113.393 -169.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -87.27 -7.4 57.89 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -60.97 -50.2 74.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.097 0.959 . . . . 0.0 111.195 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 t -54.96 -51.24 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.465 0.706 . . . . 0.0 110.689 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.55 -58.86 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 125.052 1.341 . . . . 0.0 111.308 -168.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.1 t -56.7 -41.62 77.71 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.769 1.228 . . . . 0.0 112.213 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.7 t -60.61 -48.09 83.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.5 0.72 . . . . 0.0 112.287 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.37 -50.94 71.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.347 1.059 . . . . 0.0 112.459 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.68 -49.39 68.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.426 1.09 . . . . 0.0 110.883 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.72 95.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.827 0.851 . . . . 0.0 113.247 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.27 -45.34 88.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.203 1.801 . . . . 0.0 111.648 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.5 -49.78 76.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.281 1.032 . . . . 0.0 111.825 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.19 90.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.875 0.87 . . . . 0.0 112.328 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -60.59 -42.52 96.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.485 1.114 . . . . 0.0 113.35 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -69.37 -39.01 78.29 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.135 -0.978 . . . . 0.0 112.626 170.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -36.27 82.42 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -34.38 77.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.345 0.975 . . . . 0.0 112.773 170.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -76.84 -46.42 24.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.346 1.458 . . . . 0.0 110.81 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -77.56 -2.49 35.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.194 1.398 . . . . 0.0 113.097 172.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 56.37 27.67 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 112.777 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.73 55.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.727 1.611 . . . . 0.0 112.519 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m80 54.25 4.65 0.06 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 128.219 2.608 . . . . 0.0 117.402 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.88 146.01 17.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.716 2.006 . . . . 0.0 111.394 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.3 147.41 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.235 1.014 . . . . 0.0 109.488 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -89.9 -64.28 1.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.282 1.033 . . . . 0.0 110.083 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -143.62 113.07 6.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.184 1.394 . . . . 0.0 111.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -73.47 144.11 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 162.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -128.5 118.1 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.684 1.194 . . . . 0.0 109.793 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -125.21 145.16 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.986 1.714 . . . . 0.0 110.067 -174.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -117.3 135.37 11.82 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 125.006 1.289 . . . . 0.0 111.233 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -133.11 132.4 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.756 1.622 . . . . 0.0 108.393 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.95 146.8 47.06 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 121.547 0.526 . . . . 0.0 113.712 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -67.26 -17.47 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.365 1.466 . . . . 0.0 112.86 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -111.75 0.21 16.18 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.388 1.875 . . . . 0.0 113.903 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.2 m -70.6 -15.63 62.77 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.405 1.082 . . . . 0.0 113.834 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.29 3.05 0.23 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 128.337 2.655 . . . . 0.0 117.334 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.8 mtm -68.99 119.52 13.42 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.818 1.247 . . . . 0.0 111.002 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -69.5 93.56 0.69 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.406 1.482 . . . . 0.0 112.71 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -51.54 -36.08 43.51 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.829 2.052 . . . . 0.0 114.332 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -62.64 -39.37 93.65 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.693 1.597 . . . . 0.0 112.982 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.49 -43.43 63.66 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.362 -0.836 . . . . 0.0 109.705 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -58.13 -53.7 55.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.577 0.751 . . . . 0.0 111.629 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.96 -42.98 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 172.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -62.12 -31.37 71.83 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.237 0.472 . . . . 0.0 111.816 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -48.03 64.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.043 0.937 . . . . 0.0 111.677 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.76 -45.96 85.2 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.945 0.898 . . . . 0.0 112.225 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.92 -50.0 75.69 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 0.0 111.51 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.1 m -54.61 -52.01 63.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.992 0.917 . . . . 0.0 111.587 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -79.67 9.62 4.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -31.29 19.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.189 1.359 . . . . 0.0 113.128 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.62 -20.63 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.823 1.649 . . . . 0.0 114.383 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.57 -18.0 64.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.8 1.24 . . . . 0.0 113.207 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -151.07 123.29 8.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.642 1.177 . . . . 0.0 112.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.52 -27.9 51.45 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.404 1.082 . . . . 0.0 113.31 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 m -66.5 -28.82 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.487 1.115 . . . . 0.0 113.161 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.19 -23.86 28.15 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.099 1.76 . . . . 0.0 113.619 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.12 -11.32 38.8 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.44 1.37 11.76 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.238 1.815 . . . . 0.0 113.519 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.66 169.17 17.98 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.138 1.375 . . . . 0.0 113.445 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.0 mm -132.92 157.52 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 127.353 2.261 . . . . 0.0 108.967 169.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tp -121.39 103.79 9.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.131 1.773 . . . . 0.0 110.717 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.77 124.21 32.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.806 1.642 . . . . 0.0 111.815 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.8 mt -116.91 99.12 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.505 1.122 . . . . 0.0 111.264 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.4 t -69.84 127.77 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 127.011 2.124 . . . . 0.0 111.311 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -79.01 100.03 7.13 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.107 1.363 . . . . 0.0 110.811 168.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -83.06 140.5 32.64 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.498 1.119 . . . . 0.0 112.671 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.72 160.02 32.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.592 0.757 . . . . 0.0 111.636 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.83 140.27 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.285 1.434 . . . . 0.0 110.209 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.24 138.15 39.81 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.4 mt -117.96 97.29 5.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 127.129 2.172 . . . . 0.0 112.876 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 152.77 33.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 126.935 2.094 . . . . 0.0 112.338 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.3 t -80.27 163.37 24.03 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 121.949 0.88 . . . . 0.0 112.601 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -68.4 -67.26 0.48 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.584 1.954 . . . . 0.0 114.057 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.27 60.52 1.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.782 1.633 . . . . 0.0 111.056 -169.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.431 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -146.24 -159.78 1.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.995 2.118 . . . . 0.0 111.254 -163.141 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -150.52 63.08 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.482 1.113 . . . . 0.0 110.353 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -155.74 154.57 31.65 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.393 1.077 . . . . 0.0 113.239 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 p -151.04 140.56 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 127.263 2.225 . . . . 0.0 111.146 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.76 -178.44 5.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.832 2.053 . . . . 0.0 111.822 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -110.02 146.0 33.26 Favored Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 124.703 1.201 . . . . 0.0 112.564 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -65.52 101.23 0.43 Allowed 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.791 2.994 . . . . 0.0 112.008 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 112.114 -177.9 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.633 0 N-CA-C 116.568 1.387 . . . . 0.0 116.568 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.17 165.51 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.234 1.414 . . . . 0.0 112.773 169.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.04 140.41 58.84 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 122.077 0.942 . . . . 0.0 110.858 169.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.46 -38.29 89.23 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.785 0.834 . . . . 0.0 111.839 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.29 -56.41 4.58 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.368 1.067 . . . . 0.0 112.468 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.66 124.44 49.73 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.225 1.41 . . . . 0.0 112.295 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -78.54 69.41 4.72 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.356 -1.465 . . . . 0.0 113.545 -168.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -145.93 159.27 43.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.168 2.187 . . . . 0.0 110.824 172.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -99.58 22.53 10.71 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.908 1.683 . . . . 0.0 113.079 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.79 -3.03 13.77 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.313 2.245 . . . . 0.0 115.792 -173.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.4 m -53.95 152.46 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.956 1.703 . . . . 0.0 114.399 -174.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 155.76 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.244 1.818 . . . . 0.0 112.012 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.09 111.36 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.679 1.192 . . . . 0.0 108.448 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.5 t -92.26 -13.03 31.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.851 0.86 . . . . 0.0 112.414 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -157.57 125.65 5.45 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 127.354 2.262 . . . . 0.0 107.567 -170.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.78 38.84 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 115.71 1.044 . . . . 0.0 115.71 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -58.47 -48.9 79.25 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.83 1.315 . . . . 0.0 112.333 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -153.38 167.56 29.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.66 1.584 . . . . 0.0 112.52 -172.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.5 ttt -66.91 147.77 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.221 1.408 . . . . 0.0 112.402 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -141.9 152.72 43.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.424 1.49 . . . . 0.0 112.503 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.14 115.77 17.21 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.601 1.561 . . . . 0.0 108.781 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.01 -64.5 0.93 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.952 0.796 . . . . 0.0 111.199 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -159.27 171.26 20.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.639 1.576 . . . . 0.0 113.113 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.02 115.39 17.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.613 1.565 . . . . 0.0 109.629 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -78.66 107.47 11.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.785 0.834 . . . . 0.0 108.841 167.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.48 150.78 41.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.915 0.886 . . . . 0.0 111.435 173.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 123.737 0.815 . . . . 0.0 110.574 173.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.26 -29.15 65.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.683 1.193 . . . . 0.0 113.656 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -71.82 -5.88 37.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.185 1.394 . . . . 0.0 114.172 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.6 t -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.502 1.121 . . . . 0.0 111.817 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.57 -50.66 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.378 0.671 . . . . 0.0 110.556 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.43 -58.23 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.683 1.593 . . . . 0.0 111.554 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.9 t -57.31 -42.84 82.58 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.289 1.436 . . . . 0.0 111.97 175.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -62.18 -48.39 80.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.33 0.652 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.06 -54.36 36.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.082 1.753 . . . . 0.0 110.525 176.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -49.95 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.319 1.448 . . . . 0.0 111.72 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.42 85.67 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.33 -47.52 81.86 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.631 0.772 . . . . 0.0 111.506 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 t -54.3 -48.66 71.03 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.615 1.166 . . . . 0.0 112.162 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -53.86 -59.5 4.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.321 1.448 . . . . 0.0 111.911 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.37 75.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.926 1.29 . . . . 0.0 113.22 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.36 -42.85 96.65 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.459 -0.775 . . . . 0.0 112.187 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.75 72.99 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.631 -0.668 . . . . 0.0 112.475 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -66.65 -26.04 66.87 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.507 1.049 . . . . 0.0 113.672 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -71.07 -42.88 68.81 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.314 1.046 . . . . 0.0 110.748 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -79.49 -3.83 48.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.184 1.794 . . . . 0.0 113.189 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 61.74 23.91 14.13 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.725 2.01 . . . . 0.0 112.7 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.84 -43.87 29.05 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.041 1.336 . . . . 0.0 112.747 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 56.73 5.93 0.26 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.737 2.415 . . . . 0.0 116.751 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.13 170.23 21.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.52 2.728 . . . . 0.0 110.612 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -129.35 153.98 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.447 1.499 . . . . 0.0 110.459 -166.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.04 -67.08 0.85 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.093 0.957 . . . . 0.0 108.475 162.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -145.04 169.8 17.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.726 1.61 . . . . 0.0 113.938 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.28 126.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 127.711 2.404 . . . . 0.0 108.7 168.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.12 127.88 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.208 1.403 . . . . 0.0 109.986 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.9 t -131.43 122.7 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.348 1.059 . . . . 0.0 111.617 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.11 137.11 13.69 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.678 1.609 . . . . 0.0 113.211 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mt -135.0 131.54 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.984 2.113 . . . . 0.0 108.731 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.49 128.91 46.45 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 123.73 0.681 . . . . 0.0 113.067 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -68.94 -18.91 64.16 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.305 -1.115 . . . . 0.0 113.8 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.56 -4.75 23.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.101 1.361 . . . . 0.0 113.928 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -78.84 -14.27 59.34 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.919 1.288 . . . . 0.0 113.269 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.03 16.86 2.36 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.887 2.475 . . . . 0.0 116.934 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.36 136.0 55.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.181 0.993 . . . . 0.0 111.614 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -72.8 86.88 1.26 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.274 1.43 . . . . 0.0 112.427 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -26.59 45.6 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -57.99 -38.89 76.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.007 1.323 . . . . 0.0 112.062 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.06 -43.95 81.39 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.654 -0.654 . . . . 0.0 110.0 172.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.9 -53.27 59.81 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -170.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -41.79 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t -62.68 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.02 68.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.992 0.917 . . . . 0.0 111.42 173.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -54.47 30.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.838 0.855 . . . . 0.0 111.512 170.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -71.95 -18.59 62.0 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.7 m -67.83 -56.86 7.56 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.175 -0.953 . . . . 0.0 110.981 166.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -77.01 -9.65 58.84 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.82 -30.77 15.15 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.288 1.435 . . . . 0.0 114.268 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.75 -30.84 15.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.909 2.084 . . . . 0.0 114.122 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.44 -16.72 56.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.34 1.456 . . . . 0.0 114.388 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -138.03 125.49 21.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.54 1.536 . . . . 0.0 113.022 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.77 -34.46 71.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.482 1.113 . . . . 0.0 112.668 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -32.64 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.262 0.625 . . . . 0.0 111.479 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.5 m -76.26 -23.6 54.47 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 125.531 1.533 . . . . 0.0 112.72 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -68.17 -14.16 62.77 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.913 1.285 . . . . 0.0 113.696 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -129.28 76.55 1.73 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.65 1.98 . . . . 0.0 109.571 170.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.92 166.29 33.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.753 2.021 . . . . 0.0 111.904 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.6 mt -134.84 151.39 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 126.114 1.766 . . . . 0.0 109.107 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tt -118.5 110.68 17.69 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.879 1.272 . . . . 0.0 110.359 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.86 108.41 20.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.263 1.825 . . . . 0.0 111.218 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mm -68.8 140.13 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.448 1.099 . . . . 0.0 110.381 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -128.59 123.94 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.052 1.741 . . . . 0.0 110.185 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.81 96.73 4.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.649 0.78 . . . . 0.0 110.508 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.49 144.41 55.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 110.75 169.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.95 164.03 7.03 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.573 -0.705 . . . . 0.0 111.484 166.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.13 160.58 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.964 0.906 . . . . 0.0 111.179 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -157.21 144.22 18.47 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.503 0.721 . . . . 0.0 110.959 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.543 HD13 ' HD3' ' A' ' 85' ' ' PRO . 10.2 mp -123.83 124.6 43.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.914 1.685 . . . . 0.0 111.119 -175.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -96.81 156.11 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.962 0.905 . . . . 0.0 111.928 171.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.7 t -84.2 155.06 22.71 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.879 0.872 . . . . 0.0 111.597 168.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -70.23 0.24 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.02 2.128 . . . . 0.0 113.821 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -115.07 59.86 0.7 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.101 1.76 . . . . 0.0 111.66 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.89 -153.27 0.46 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.162 2.585 . . . . 0.0 109.627 -168.126 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 t -147.42 14.24 1.1 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 168.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -127.6 158.94 36.16 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.729 1.212 . . . . 0.0 113.694 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -146.79 133.22 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.703 2.401 . . . . 0.0 109.982 -168.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.19 -177.78 6.13 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.057 1.343 . . . . 0.0 114.127 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.01 142.26 24.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.835 1.654 . . . . 0.0 113.011 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.543 ' HD3' HD13 ' A' ' 74' ' ' LEU . 54.9 Cg_endo -72.98 109.71 2.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.394 3.396 . . . . 0.0 112.714 -175.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 m120 . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 126.858 2.063 . . . . 0.0 109.64 172.119 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.566 0 N-CA-C 116.391 1.317 . . . . 0.0 116.391 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 m -58.79 167.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 118.657 1.229 . . . . 0.0 112.658 167.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.32 161.34 3.38 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.358 1.463 . . . . 0.0 111.975 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.43 -46.16 18.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.553 . . . . 0.0 111.448 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -79.28 -75.41 0.24 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 111.766 176.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.2 p -71.35 176.07 4.91 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.097 1.359 . . . . 0.0 111.657 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -123.09 44.23 2.73 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.602 -1.311 . . . . 0.0 113.716 -169.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.9 m -131.53 155.67 47.05 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.695 1.198 . . . . 0.0 111.964 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -92.13 15.64 13.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.214 2.206 . . . . 0.0 113.711 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -0.11 5.32 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.692 1.997 . . . . 0.0 115.788 -176.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.47 149.02 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.598 1.159 . . . . 0.0 112.842 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.36 152.05 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.516 1.527 . . . . 0.0 111.846 178.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.3 mp -73.57 115.06 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.538 1.535 . . . . 0.0 108.227 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -101.16 -6.31 24.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.458 1.103 . . . . 0.0 112.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -154.45 121.83 5.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.598 1.959 . . . . 0.0 108.836 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 95.77 2.94 61.06 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.851 1.215 . . . . 0.0 115.511 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.3 -33.32 67.56 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.411 1.485 . . . . 0.0 114.276 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -137.35 154.13 50.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.563 1.545 . . . . 0.0 110.768 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ptm -76.63 147.43 37.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.331 0.652 . . . . 0.0 111.987 170.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -150.18 153.15 35.79 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.654 1.582 . . . . 0.0 111.903 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -61.3 153.71 25.77 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.888 -0.507 . . . . 0.0 112.198 167.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -118.51 -51.99 2.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.075 1.35 . . . . 0.0 111.916 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -160.79 173.65 15.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.363 1.065 . . . . 0.0 112.19 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.64 160.33 23.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.544 1.538 . . . . 0.0 109.561 166.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -126.98 143.69 51.22 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.924 1.69 . . . . 0.0 110.108 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.7 mtt -134.59 157.95 45.27 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.784 1.634 . . . . 0.0 110.8 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.2 mt . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 125.188 1.395 . . . . 0.0 111.395 -178.45 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -56.12 -44.49 79.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.014 1.325 . . . . 0.0 112.335 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -86.04 0.61 52.96 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.821 1.248 . . . . 0.0 114.08 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.0 t -58.1 -55.02 40.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.033 0.933 . . . . 0.0 111.178 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.23 -49.17 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.659 0.783 . . . . 0.0 111.06 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.11 -61.79 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 125.372 1.469 . . . . 0.0 111.38 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.7 t -59.9 -44.25 94.37 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.056 1.342 . . . . 0.0 111.619 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 m -60.94 -48.59 81.11 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.352 0.661 . . . . 0.0 112.248 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.57 -52.85 63.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.052 0.842 . . . . 0.0 112.373 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -51.29 -48.27 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.196 0.999 . . . . 0.0 111.127 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.94 88.1 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -43.78 97.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.183 1.393 . . . . 0.0 111.788 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.51 -48.33 82.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.427 1.491 . . . . 0.0 112.361 173.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -56.26 -48.59 76.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.146 0.978 . . . . 0.0 111.238 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.39 -47.78 78.24 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.976 1.31 . . . . 0.0 112.409 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -61.87 -40.8 96.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.126 -0.984 . . . . 0.0 112.408 173.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.4 92.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.325 0.966 . . . . 0.0 112.317 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -19.38 61.72 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -81.59 -42.68 19.73 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.695 1.198 . . . . 0.0 111.023 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -81.0 -5.54 57.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.138 1.775 . . . . 0.0 113.028 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 63.46 21.68 12.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.904 2.082 . . . . 0.0 112.886 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.88 69.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.725 1.21 . . . . 0.0 112.376 -173.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.4 m80 55.01 18.06 2.11 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.716 2.006 . . . . 0.0 114.699 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -165.56 174.71 9.6 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 129.367 3.067 . . . . 0.0 110.115 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -114.47 177.35 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 126.299 1.84 . . . . 0.0 107.985 170.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -118.27 -62.53 1.53 Allowed 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.283 -1.511 . . . . 0.0 110.011 160.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -153.82 107.41 2.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.975 0.91 . . . . 0.0 112.341 -168.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -78.6 147.68 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.927 0.891 . . . . 0.0 110.86 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.73 114.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.242 1.417 . . . . 0.0 109.653 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.3 t -131.19 117.05 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.06 1.344 . . . . 0.0 111.38 -171.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.34 134.84 13.95 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.043 1.306 . . . . 0.0 112.528 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -130.13 131.14 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.371 1.869 . . . . 0.0 108.314 174.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.3 143.74 48.62 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.864 0.745 . . . . 0.0 113.925 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.01 -16.73 63.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.591 1.157 . . . . 0.0 112.877 -173.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -113.69 3.23 15.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.422 1.889 . . . . 0.0 113.944 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -68.55 -23.95 64.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.944 0.898 . . . . 0.0 112.985 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.27 9.97 0.4 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 128.121 2.568 . . . . 0.0 116.727 173.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.72 154.87 41.43 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.139 -0.975 . . . . 0.0 112.94 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.99 85.78 4.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.98 1.312 . . . . 0.0 111.514 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -54.14 -28.24 38.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.255 1.822 . . . . 0.0 114.63 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 t -55.76 -42.47 75.5 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.679 1.592 . . . . 0.0 112.28 172.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.312 0.505 . . . . 0.0 110.69 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.04 -50.37 73.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 110.968 -174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -41.35 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 p -66.87 -31.65 72.39 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.078 0.399 . . . . 0.0 111.911 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.04 -49.79 64.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.507 1.123 . . . . 0.0 111.123 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.34 -55.28 19.26 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.756 0.823 . . . . 0.0 111.567 172.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.42 -42.47 78.1 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.527 1.531 . . . . 0.0 113.338 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -63.3 -44.24 95.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.51 0.724 . . . . 0.0 112.053 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -83.57 -25.48 30.9 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -63.1 -14.98 54.94 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.54 -9.74 14.67 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.543 1.537 . . . . 0.0 114.525 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -62.79 -18.62 63.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.517 1.527 . . . . 0.0 113.82 172.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -137.52 174.0 11.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.917 1.687 . . . . 0.0 111.396 173.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.27 -46.34 9.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.25 1.42 . . . . 0.0 111.549 173.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -62.97 -28.45 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 125.191 1.396 . . . . 0.0 112.044 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.72 -21.32 59.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.55 2.34 . . . . 0.0 113.418 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -81.9 -36.12 28.45 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -77.52 74.94 4.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.674 1.19 . . . . 0.0 110.198 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.24 158.05 43.86 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.864 1.265 . . . . 0.0 112.538 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.3 mt -131.7 148.4 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.528 2.331 . . . . 0.0 107.719 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -116.61 105.24 12.22 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.967 1.307 . . . . 0.0 111.326 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -80.82 105.9 12.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.451 1.1 . . . . 0.0 111.595 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.29 105.59 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 109.341 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.34 130.58 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.245 1.418 . . . . 0.0 110.304 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.68 94.06 2.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.745 1.218 . . . . 0.0 111.45 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.45 123.94 26.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.581 1.153 . . . . 0.0 110.911 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 160.02 12.8 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.224 -0.923 . . . . 0.0 111.991 170.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.79 159.36 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.025 0.93 . . . . 0.0 112.344 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -151.46 140.23 20.84 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.53 98.02 6.98 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.567 2.347 . . . . 0.0 111.591 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.82 150.09 29.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.861 1.665 . . . . 0.0 111.857 167.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 3.6 t -90.1 154.24 19.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.176 1.39 . . . . 0.0 112.872 174.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -62.34 -63.29 1.28 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.247 1.819 . . . . 0.0 114.493 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -128.76 60.1 1.53 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.698 1.599 . . . . 0.0 111.023 -170.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER -141.62 -156.83 0.71 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.889 2.076 . . . . 0.0 111.39 -165.369 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 t -151.01 33.33 0.59 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.887 1.275 . . . . 0.0 112.319 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -147.02 150.77 35.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.982 1.313 . . . . 0.0 112.486 -171.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.58 151.68 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 126.176 1.79 . . . . 0.0 110.848 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.75 -175.29 4.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.772 1.629 . . . . 0.0 112.03 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -113.89 145.69 34.03 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.791 1.236 . . . . 0.0 112.508 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.55 110.43 1.85 Allowed 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 124.096 3.198 . . . . 0.0 112.497 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 125.476 1.51 . . . . 0.0 111.633 177.036 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.596 0 N-CA-C 115.497 0.959 . . . . 0.0 115.497 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 m -64.84 162.74 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.092 1.757 . . . . 0.0 112.051 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -66.55 148.54 51.75 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.248 1.019 . . . . 0.0 111.428 172.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.44 -44.81 81.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.702 0.801 . . . . 0.0 111.967 -175.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -74.25 -56.42 4.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.669 1.188 . . . . 0.0 112.175 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.0 p -111.64 123.88 51.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.524 1.53 . . . . 0.0 111.527 -173.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.59 60.49 3.31 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.24 -1.537 . . . . 0.0 113.609 -168.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.3 m -138.48 155.95 47.97 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.043 2.137 . . . . 0.0 110.793 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -100.44 16.4 24.68 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.967 1.707 . . . . 0.0 113.279 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.52 -1.07 5.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.823 2.449 . . . . 0.0 115.984 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.0 m -56.11 154.35 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.464 1.506 . . . . 0.0 113.978 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.7 155.23 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.219 1.808 . . . . 0.0 111.854 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 mm -77.51 107.73 9.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.143 0.977 . . . . 0.0 108.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.6 t -90.41 -10.04 45.33 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.445 -0.784 . . . . 0.0 112.279 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -159.15 126.03 4.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.551 1.941 . . . . 0.0 108.414 -173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.05 22.45 59.26 Favored Glycine 0 CA--C 1.536 1.381 0 N-CA-C 114.832 0.693 . . . . 0.0 114.832 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -33.58 72.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 112.265 175.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -149.51 165.56 31.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.877 1.671 . . . . 0.0 111.748 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.1 ptm -69.43 144.99 53.15 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.18 0.592 . . . . 0.0 112.27 172.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -150.95 144.61 25.05 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.953 1.701 . . . . 0.0 111.516 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -61.25 149.68 37.01 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.677 -0.639 . . . . 0.0 112.723 167.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -105.2 -60.0 1.68 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.417 1.487 . . . . 0.0 110.319 170.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.4 p -155.8 165.86 35.24 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.459 1.504 . . . . 0.0 112.776 -169.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.7 mt -132.96 108.32 8.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.934 1.693 . . . . 0.0 109.313 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -77.15 143.36 39.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.432 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 62.2 mtt -131.59 140.19 49.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.717 1.607 . . . . 0.0 112.442 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 125.742 1.617 . . . . 0.0 111.36 175.671 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.47 -26.48 68.55 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -84.71 -2.5 57.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 t -56.71 -50.11 73.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.16 -49.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.577 0.751 . . . . 0.0 110.892 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.49 -56.46 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.229 1.011 . . . . 0.0 111.015 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -57.88 -38.19 75.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.343 1.057 . . . . 0.0 112.003 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.5 t -62.6 -43.59 98.43 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.736 0.814 . . . . 0.0 111.863 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 HG21 ' A' ' 31' ' ' VAL . 4.6 tt -56.39 -50.15 72.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.676 1.19 . . . . 0.0 111.106 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.5 -49.41 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.227 0.922 . . . . 0.0 111.1 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.67 90.7 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.34 1.056 . . . . 0.0 113.018 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 mt -63.18 -50.89 68.56 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.048 1.339 . . . . 0.0 111.914 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.8 m -55.83 -46.16 78.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.294 0.952 . . . . 0.0 112.502 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.0 -56.92 13.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.545 1.138 . . . . 0.0 111.964 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.88 -48.28 82.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.129 0.972 . . . . 0.0 113.172 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -62.06 -38.43 88.75 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.149 -0.969 . . . . 0.0 112.18 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.41 72.21 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.82 0.736 . . . . 0.0 112.037 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.2 -31.84 73.21 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.444 1.02 . . . . 0.0 113.119 175.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -71.47 -40.24 70.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.399 1.079 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -79.3 -5.07 53.62 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.205 1.402 . . . . 0.0 113.32 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.86 31.51 19.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.818 2.047 . . . . 0.0 112.372 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.3 -33.12 29.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.497 1.519 . . . . 0.0 113.214 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 52.75 16.31 0.66 Allowed 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 126.887 2.075 . . . . 0.0 115.365 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -158.68 163.54 36.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.825 1.65 . . . . 0.0 111.498 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.4 mm -131.71 133.84 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.65 1.98 . . . . 0.0 107.857 168.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.66 -55.63 4.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 0.0 109.026 168.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -148.31 160.37 43.05 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 12' ' ' LEU . 2.2 p -129.92 113.53 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.911 2.484 . . . . 0.0 110.402 173.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 t -89.47 125.14 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.771 1.629 . . . . 0.0 110.123 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.19 122.0 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.855 1.262 . . . . 0.0 111.05 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.2 122.49 6.2 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.808 1.67 . . . . 0.0 111.72 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mt -125.8 122.21 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.204 1.402 . . . . 0.0 109.142 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.66 136.23 49.12 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.318 0.961 . . . . 0.0 112.738 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -68.37 -12.61 61.38 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.443 -1.034 . . . . 0.0 113.319 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -110.9 0.89 17.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.572 1.949 . . . . 0.0 114.21 173.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 m -70.96 -9.01 57.14 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.54 19.74 4.4 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.05 2.14 . . . . 0.0 115.459 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.79 136.39 54.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.789 1.236 . . . . 0.0 111.445 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -74.89 86.87 2.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.42 0.688 . . . . 0.0 109.672 163.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -58.67 -31.91 68.62 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.656 -1.277 . . . . 0.0 113.899 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.1 t -60.85 -44.94 96.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.631 1.572 . . . . 0.0 111.952 170.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.77 -49.06 79.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.901 0.88 . . . . 0.0 110.171 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.66 -51.33 67.6 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.75 -39.67 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -64.3 -30.3 71.35 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.03 -47.63 61.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.947 1.299 . . . . 0.0 110.805 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -52.13 -49.44 63.7 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.68 -0.637 . . . . 0.0 112.461 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.6 -24.77 67.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.22 1.808 . . . . 0.0 113.71 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.0 m -75.05 -63.47 1.26 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 170.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -77.35 -4.86 47.28 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -167.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -21.59 13.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.414 1.486 . . . . 0.0 114.864 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.32 -22.28 64.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.938 1.695 . . . . 0.0 114.237 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.62 -15.3 51.0 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.421 1.089 . . . . 0.0 113.347 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -131.04 -174.83 3.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.536 1.934 . . . . 0.0 111.01 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.7 tp -110.92 -41.86 4.14 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.631 1.572 . . . . 0.0 111.822 169.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -60.9 -23.44 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.818 1.247 . . . . 0.0 112.714 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.1 m -78.31 -28.67 47.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.221 1.409 . . . . 0.0 113.295 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -71.53 -11.68 60.99 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -124.77 7.48 8.13 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.754 1.622 . . . . 0.0 113.674 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.24 170.03 16.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.483 1.513 . . . . 0.0 113.313 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.4 mt -128.17 152.81 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.936 1.694 . . . . 0.0 109.885 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tt -112.79 111.09 21.62 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.915 1.286 . . . . 0.0 110.693 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.11 96.95 10.05 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.434 1.094 . . . . 0.0 111.579 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.17 107.79 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.213 1.005 . . . . 0.0 109.933 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.0 t -93.96 117.91 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.499 1.52 . . . . 0.0 109.953 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.46 97.49 2.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.016 1.326 . . . . 0.0 110.816 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -77.96 116.08 18.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.423 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.66 140.21 58.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.419 0.688 . . . . 0.0 110.939 174.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.03 161.04 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.773 1.229 . . . . 0.0 111.628 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -152.08 140.67 20.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.676 0.79 . . . . 0.0 112.234 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.44 112.69 24.61 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.106 2.162 . . . . 0.0 111.611 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -91.93 154.18 19.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.232 0.613 . . . . 0.0 111.759 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.9 t -79.18 157.58 27.85 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.796 0.808 . . . . 0.0 111.826 166.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -60.55 -65.13 0.74 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.934 2.094 . . . . 0.0 114.65 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -131.24 58.12 1.73 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.558 1.543 . . . . 0.0 110.808 -169.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -141.02 -156.06 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.555 1.942 . . . . 0.0 111.383 -162.801 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -139.6 4.11 2.13 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -122.05 159.02 27.92 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.972 1.309 . . . . 0.0 114.228 -172.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.23 133.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 128.282 2.633 . . . . 0.0 109.594 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -138.26 -175.82 4.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.032 1.733 . . . . 0.0 112.616 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -113.94 145.72 34.13 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 125.226 1.41 . . . . 0.0 113.455 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.09 104.85 1.28 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.208 3.272 . . . . 0.0 112.324 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 125.992 1.717 . . . . 0.0 111.074 176.177 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 N-CA-C 114.517 0.567 . . . . 0.0 114.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.05 161.32 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 126.76 2.024 . . . . 0.0 112.438 174.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.24 146.15 54.95 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.538 1.161 . . . . 0.0 111.697 171.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.01 -42.44 84.95 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.757 0.823 . . . . 0.0 111.773 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -76.12 -43.81 41.43 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.711 0.804 . . . . 0.0 111.762 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.17 121.56 27.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.229 1.412 . . . . 0.0 112.211 -175.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -78.62 60.95 2.83 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.43 -1.419 . . . . 0.0 114.134 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 m -139.23 151.44 46.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.748 2.019 . . . . 0.0 111.15 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -86.67 18.82 3.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.5 1.92 . . . . 0.0 114.31 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.54 -2.6 6.83 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.447 1.899 . . . . 0.0 115.951 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.8 154.4 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.865 1.666 . . . . 0.0 114.357 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.59 155.85 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.763 1.625 . . . . 0.0 112.55 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.17 107.59 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.842 1.257 . . . . 0.0 109.518 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.46 -10.83 47.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.128 0.971 . . . . 0.0 112.692 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -160.71 131.92 5.61 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.507 1.923 . . . . 0.0 107.616 -171.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.76 16.04 76.24 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 123.4 0.524 . . . . 0.0 114.084 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.51 -42.38 87.42 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 111.973 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.35 161.54 37.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.382 1.873 . . . . 0.0 111.441 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.6 ptm -78.93 153.3 30.54 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.904 0.881 . . . . 0.0 112.516 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -149.11 153.82 38.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.205 1.802 . . . . 0.0 111.926 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.84 148.84 45.88 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.022 161.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -115.12 -58.93 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.45 1.1 . . . . 0.0 112.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.0 t -160.66 175.66 12.41 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.042 1.337 . . . . 0.0 111.376 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 mt -121.51 167.3 13.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.89 135.55 49.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.41 1.884 . . . . 0.0 108.736 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.2 mtt -123.24 138.48 54.62 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.996 1.718 . . . . 0.0 109.667 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 123.55 0.74 . . . . 0.0 112.428 179.628 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.2 -33.9 63.44 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.402 1.881 . . . . 0.0 113.439 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.58 -12.31 10.96 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.981 1.312 . . . . 0.0 113.961 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.4 t -55.68 -48.33 75.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.909 0.884 . . . . 0.0 110.935 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -43.4 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.865 0.866 . . . . 0.0 113.122 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.35 -58.13 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.662 1.985 . . . . 0.0 110.829 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -56.83 -41.44 77.84 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.858 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -60.75 -49.78 76.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.513 1.125 . . . . 0.0 112.128 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.16 -49.57 73.62 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.184 0.994 . . . . 0.0 111.479 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.74 -47.03 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.409 1.083 . . . . 0.0 111.136 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.44 80.0 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.705 1.202 . . . . 0.0 112.617 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.3 mt -58.13 -50.88 71.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.718 1.207 . . . . 0.0 111.567 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.8 m -55.02 -47.5 74.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.66 0.784 . . . . 0.0 112.401 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -57.48 -52.62 64.65 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.093 0.957 . . . . 0.0 111.923 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.31 -47.34 85.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.31 1.044 . . . . 0.0 112.842 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -62.1 -42.0 98.77 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.497 -0.752 . . . . 0.0 111.88 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.62 82.74 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.644 -0.66 . . . . 0.0 112.692 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -32.59 74.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.854 1.206 . . . . 0.0 112.811 174.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -74.68 -38.14 62.49 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.973 0.909 . . . . 0.0 111.334 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -80.82 -1.61 43.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.45 1.5 . . . . 0.0 113.123 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 56.91 24.79 9.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.22 2.208 . . . . 0.0 113.179 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.54 -37.89 49.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.126 1.77 . . . . 0.0 112.423 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.7 m80 52.7 13.61 0.35 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.485 2.314 . . . . 0.0 116.092 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.46 166.3 27.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.807 2.843 . . . . 0.0 109.888 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.0 mm -126.41 141.69 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.351 1.86 . . . . 0.0 108.126 166.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -82.29 -67.08 0.81 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.547 1.139 . . . . 0.0 108.479 168.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -140.39 165.35 27.67 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.375 1.47 . . . . 0.0 113.132 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.33 141.27 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 127.464 2.306 . . . . 0.0 109.75 165.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.93 126.04 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.97 1.708 . . . . 0.0 108.961 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.91 123.97 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.313 1.045 . . . . 0.0 111.958 -167.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.29 118.27 5.04 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.387 1.47 . . . . 0.0 112.175 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -115.93 125.65 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.198 1.399 . . . . 0.0 108.655 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.25 143.57 46.3 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.193 0.425 . . . . 0.0 112.784 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.27 -14.39 60.61 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.454 -1.027 . . . . 0.0 112.815 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -116.45 7.02 13.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.858 2.063 . . . . 0.0 114.052 174.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -69.7 -18.1 63.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 112.71 171.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.89 0.77 0.08 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 129.241 3.017 . . . . 0.0 117.682 171.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 ptp -68.19 154.12 42.36 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.625 1.17 . . . . 0.0 112.326 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -81.16 95.73 6.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.177 0.991 . . . . 0.0 110.877 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -50.62 -38.66 47.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.593 1.557 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 t -62.77 -49.67 74.07 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.971 1.708 . . . . 0.0 112.064 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.71 -47.32 86.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.844 0.858 . . . . 0.0 111.453 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.39 -57.14 11.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.639 1.176 . . . . 0.0 112.724 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.81 -42.7 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -63.09 -33.13 74.78 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.054 0.454 . . . . 0.0 111.754 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.6 71.11 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.385 1.074 . . . . 0.0 110.96 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.59 -53.31 39.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.41 -8.94 57.97 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -82.75 -60.5 2.15 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.546 1.538 . . . . 0.0 111.015 163.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.16 2.06 19.33 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -171.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -28.0 4.76 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.071 1.749 . . . . 0.0 114.117 172.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.16 -18.16 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.147 1.379 . . . . 0.0 114.571 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.99 -25.56 66.37 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.787 172.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -143.97 116.03 8.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.629 1.571 . . . . 0.0 111.754 -171.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.22 -28.34 66.59 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.852 -1.155 . . . . 0.0 113.985 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.02 -25.81 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.114 0.965 . . . . 0.0 112.706 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.4 t -81.67 -26.0 35.09 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.817 2.047 . . . . 0.0 112.979 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -65.34 -10.51 33.56 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.19 -1.94 9.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.081 1.752 . . . . 0.0 113.676 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.68 158.13 31.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.07 1.348 . . . . 0.0 112.972 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.8 mt -131.89 145.07 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.913 1.285 . . . . 0.0 110.044 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tp -116.24 116.94 28.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.822 1.649 . . . . 0.0 111.345 -172.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.38 105.27 15.49 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.572 1.949 . . . . 0.0 112.764 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.17 139.08 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.381 -0.824 . . . . 0.0 111.191 172.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.65 122.67 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 128.246 2.618 . . . . 0.0 109.003 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.65 106.56 6.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.603 1.161 . . . . 0.0 111.064 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -88.58 144.57 26.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.264 1.025 . . . . 0.0 112.521 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 169.13 17.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.649 1.58 . . . . 0.0 112.772 168.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.16 154.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.239 1.815 . . . . 0.0 110.459 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -142.27 134.81 28.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.438 1.095 . . . . 0.0 111.825 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.34 101.72 10.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 128.195 2.598 . . . . 0.0 111.145 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.9 149.33 28.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.404 1.882 . . . . 0.0 112.059 169.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 2.9 t -92.72 151.3 20.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.713 1.205 . . . . 0.0 113.1 174.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -62.25 -72.76 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.199 2.2 . . . . 0.0 114.018 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -113.69 55.44 0.72 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.156 1.783 . . . . 0.0 111.439 -171.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.431 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -138.31 -155.13 0.57 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.651 2.38 . . . . 0.0 110.656 -168.627 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 26.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.755 1.222 . . . . 0.0 112.797 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.423 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 82.2 t60 -146.77 154.43 41.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.268 1.027 . . . . 0.0 113.471 -166.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.07 148.14 25.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 126.608 1.963 . . . . 0.0 110.763 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -142.72 -174.89 4.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.63 1.572 . . . . 0.0 112.248 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -110.95 142.9 27.19 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.345 1.458 . . . . 0.0 111.445 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.08 123.54 10.44 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.007 2.472 . . . . 0.0 112.679 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.8 m120 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.536 1.534 . . . . 0.0 111.023 174.813 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.281 0 N-CA-C 114.315 0.486 . . . . 0.0 114.315 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.6 m -62.78 165.69 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.407 1.483 . . . . 0.0 112.037 168.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.7 t -61.17 166.26 3.82 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.49 1.516 . . . . 0.0 112.692 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' A' ' 81' ' ' HIS . 10.8 pt-20 -89.19 -31.41 17.95 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -93.72 -62.78 1.29 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.954 1.302 . . . . 0.0 111.477 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.3 p -79.37 174.27 11.74 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.871 0.869 . . . . 0.0 110.737 162.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -124.35 46.65 2.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.743 -1.223 . . . . 0.0 113.043 -171.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.2 m -136.9 155.65 49.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.833 1.253 . . . . 0.0 111.618 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -87.7 14.94 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.395 1.878 . . . . 0.0 114.121 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -66.92 -1.49 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.462 1.905 . . . . 0.0 115.81 -172.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -58.52 152.46 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.938 1.295 . . . . 0.0 113.311 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 154.15 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.251 1.821 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mp -75.88 109.31 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.464 1.106 . . . . 0.0 108.629 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.1 t -91.34 -12.46 34.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.576 0.75 . . . . 0.0 112.022 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -160.01 131.72 6.1 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.619 1.968 . . . . 0.0 108.493 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.39 -11.16 39.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.791 1.186 . . . . 0.0 115.341 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -66.82 -33.82 76.46 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.568 1.547 . . . . 0.0 112.352 175.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -138.09 158.09 45.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.369 2.268 . . . . 0.0 110.8 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -78.9 168.62 19.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.377 1.071 . . . . 0.0 113.275 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -154.84 159.43 40.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.374 1.869 . . . . 0.0 112.868 171.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.42 152.72 41.82 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.214 -0.928 . . . . 0.0 110.179 163.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.9 mt -115.55 -55.72 2.41 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.048 1.339 . . . . 0.0 111.699 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 t -159.18 169.83 23.28 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.227 1.011 . . . . 0.0 112.259 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 167.34 14.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.428 1.491 . . . . 0.0 110.823 170.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -132.58 139.69 47.92 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.936 1.694 . . . . 0.0 110.311 170.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.4 mtt -134.96 123.0 22.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.847 2.059 . . . . 0.0 109.542 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 124.89 1.276 . . . . 0.0 112.648 -175.449 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.59 -24.7 61.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.286 1.434 . . . . 0.0 114.332 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.81 -6.54 48.65 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -61.95 -53.84 50.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.851 0.861 . . . . 0.0 111.15 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.83 -41.92 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.291 1.036 . . . . 0.0 112.547 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.28 -61.5 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.472 1.909 . . . . 0.0 111.516 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.7 t -53.77 -42.23 68.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.612 1.165 . . . . 0.0 111.842 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -58.95 -53.96 52.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.374 1.07 . . . . 0.0 112.258 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.64 -53.62 52.3 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.924 0.889 . . . . 0.0 111.588 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.5 mt -55.83 -48.92 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.082 1.353 . . . . 0.0 110.938 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.11 -48.22 82.66 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.02 -53.72 54.48 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.231 1.012 . . . . 0.0 112.128 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -68.08 -32.59 73.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -177.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -58.75 -46.3 87.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.295 0.952 . . . . 0.0 111.346 167.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.58 -44.3 94.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.435 0.694 . . . . 0.0 111.816 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -61.71 -41.82 98.12 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.394 -0.816 . . . . 0.0 112.12 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.83 -48.74 75.57 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.586 -0.696 . . . . 0.0 112.319 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -63.82 -32.24 73.69 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.279 0.945 . . . . 0.0 112.977 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -71.59 -39.92 70.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.566 1.146 . . . . 0.0 111.179 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -82.88 -0.47 48.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.779 1.231 . . . . 0.0 113.245 172.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 57.57 27.57 14.33 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.895 2.078 . . . . 0.0 112.829 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.86 64.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.723 1.209 . . . . 0.0 113.308 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 56.23 2.25 0.08 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.025 2.53 . . . . 0.0 116.509 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -157.65 176.54 12.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.762 2.425 . . . . 0.0 111.294 165.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.33 141.46 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.098 1.759 . . . . 0.0 109.215 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.83 -49.7 7.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 110.353 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -152.1 158.29 42.77 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.059 1.344 . . . . 0.0 114.205 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -124.96 134.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 128.42 2.688 . . . . 0.0 109.216 157.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.38 123.02 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.011 1.724 . . . . 0.0 108.069 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.03 152.92 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.33 1.452 . . . . 0.0 110.573 -171.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -118.68 134.66 11.01 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.636 1.113 . . . . 0.0 111.585 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.0 mt -132.49 123.82 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.704 1.602 . . . . 0.0 108.728 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.18 146.0 50.04 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.213 0.435 . . . . 0.0 112.938 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.21 -11.25 58.97 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.225 -1.162 . . . . 0.0 112.906 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -112.75 3.12 16.32 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.424 1.89 . . . . 0.0 114.37 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 m -69.76 -18.37 63.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.941 0.896 . . . . 0.0 113.22 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.85 16.7 2.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 127.39 2.276 . . . . 0.0 116.097 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.5 mtt -71.27 135.06 47.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.161 1.384 . . . . 0.0 111.089 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -76.96 95.49 4.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.645 0.778 . . . . 0.0 109.949 171.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -56.0 -35.49 66.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -48.65 80.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.445 1.498 . . . . 0.0 111.734 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.85 -49.04 79.09 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.31 1.044 . . . . 0.0 111.705 175.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -58.67 -53.17 61.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.612 0.765 . . . . 0.0 112.955 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.06 -40.14 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.91 1.232 . . . . 0.0 113.1 174.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -63.57 -30.44 71.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.391 0.542 . . . . 0.0 111.852 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.73 70.15 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.932 173.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -55.83 -49.81 72.26 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.528 -0.732 . . . . 0.0 112.369 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.8 -23.59 67.32 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.333 1.453 . . . . 0.0 113.644 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.2 m -74.67 -60.54 2.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.871 1.268 . . . . 0.0 111.088 169.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.22 -8.53 56.86 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -48.6 -30.05 4.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.565 1.546 . . . . 0.0 114.056 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.6 -27.89 59.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.53 2.332 . . . . 0.0 114.21 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.18 -14.67 56.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.361 1.464 . . . . 0.0 113.638 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 m -135.38 169.07 18.05 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.236 1.814 . . . . 0.0 110.917 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -82.82 -48.26 10.98 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.826 -1.171 . . . . 0.0 111.438 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m -66.79 -25.37 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.632 1.573 . . . . 0.0 113.745 -169.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.67 -26.0 59.55 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.897 1.279 . . . . 0.0 113.263 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.08 -21.94 64.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -165.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.77 7.73 10.5 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.4 1.88 . . . . 0.0 113.857 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.08 164.86 21.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.577 1.151 . . . . 0.0 112.715 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.8 mm -125.86 139.59 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.955 1.702 . . . . 0.0 109.673 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.84 108.27 16.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.125 1.37 . . . . 0.0 111.003 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.37 115.15 29.97 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.835 1.654 . . . . 0.0 112.59 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.5 mt -104.68 101.24 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.982 1.713 . . . . 0.0 111.487 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -74.67 122.46 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 111.432 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.28 103.44 2.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.06 1.344 . . . . 0.0 110.818 168.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -99.51 144.95 28.01 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.972 1.709 . . . . 0.0 111.943 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -74.7 169.86 16.99 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.955 -1.091 . . . . 0.0 113.155 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 m -123.06 158.27 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.095 1.358 . . . . 0.0 112.935 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -154.58 143.51 20.96 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.4 1.08 . . . . 0.0 111.3 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.32 103.5 10.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.776 2.03 . . . . 0.0 110.506 -174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -81.39 152.37 27.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.94 0.896 . . . . 0.0 112.788 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.427 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.1 t -78.67 155.04 29.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.655 0.782 . . . . 0.0 111.443 165.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -62.9 -63.0 1.34 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.362 1.865 . . . . 0.0 114.424 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.66 58.13 1.58 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.706 1.602 . . . . 0.0 111.172 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.17 -155.59 0.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.771 2.028 . . . . 0.0 111.337 -163.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -146.78 25.7 1.16 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.79 1.236 . . . . 0.0 112.946 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -140.46 149.66 42.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.851 1.261 . . . . 0.0 112.707 -172.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.34 152.29 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 126.57 1.948 . . . . 0.0 110.544 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.97 -178.59 6.01 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.828 1.251 . . . . 0.0 112.969 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -99.55 141.4 22.75 Favored Pre-proline 0 N--CA 1.48 1.056 0 C-N-CA 125.311 1.444 . . . . 0.0 112.195 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.98 120.88 7.37 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.978 2.452 . . . . 0.0 111.729 -174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 124.863 1.265 . . . . 0.0 112.01 -179.536 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 N-CA-C 114.715 0.646 . . . . 0.0 114.715 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 m -64.79 156.38 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.89 1.676 . . . . 0.0 112.679 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.4 t -69.24 148.82 49.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.318 1.447 . . . . 0.0 111.892 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -69.8 -33.4 72.3 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.526 -0.734 . . . . 0.0 112.513 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -81.97 -56.62 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.691 1.196 . . . . 0.0 112.372 173.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -112.91 128.49 56.48 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.381 1.472 . . . . 0.0 111.435 -173.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -80.14 56.29 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.434 -1.416 . . . . 0.0 113.578 -168.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.8 m -136.25 149.43 48.51 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.087 2.155 . . . . 0.0 109.914 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -105.91 26.0 10.2 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.584 1.553 . . . . 0.0 113.291 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.83 1.1 2.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.684 2.794 . . . . 0.0 115.726 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.71 149.67 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 114.004 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.95 154.2 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.738 1.615 . . . . 0.0 112.14 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.9 mt -78.27 108.11 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.207 1.003 . . . . 0.0 108.937 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -86.85 -9.53 55.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.591 1.157 . . . . 0.0 112.677 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -157.66 126.5 5.72 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.035 2.134 . . . . 0.0 107.83 -169.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.14 18.08 78.87 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.72 -38.32 81.33 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.368 1.467 . . . . 0.0 111.788 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.4 166.77 27.11 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.716 1.606 . . . . 0.0 112.365 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.63 150.74 45.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.185 1.394 . . . . 0.0 112.583 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -154.9 154.88 33.34 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.697 1.599 . . . . 0.0 112.01 172.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.8 pp -63.9 152.42 39.85 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 122.111 -0.368 . . . . 0.0 111.133 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.8 mt -113.99 -57.8 2.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.718 1.207 . . . . 0.0 110.478 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.9 m -151.72 164.2 37.49 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.926 1.69 . . . . 0.0 111.46 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.4 mt -115.99 170.3 8.59 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.978 0.911 . . . . 0.0 110.628 161.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -140.54 122.21 15.28 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.35 1.86 . . . . 0.0 108.316 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 18.8 ptp -135.13 111.59 9.83 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.155 -0.966 . . . . 0.0 110.998 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 124.985 1.314 . . . . 0.0 112.319 -175.653 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.371 0.129 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.47 -33.51 74.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -85.54 -3.67 58.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.58 1.152 . . . . 0.0 114.052 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.0 m -62.36 -33.74 75.33 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 t -68.19 -52.23 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.151 0.887 . . . . 0.0 110.173 167.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.59 -62.61 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.805 1.642 . . . . 0.0 111.149 -167.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m -59.37 -35.0 73.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.069 1.348 . . . . 0.0 112.86 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 t -63.28 -43.28 98.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.229 0.612 . . . . 0.0 111.536 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.24 -41.58 97.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.759 0.824 . . . . 0.0 112.906 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.91 -50.84 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 118.52 0.6 . . . . 0.0 110.527 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.84 89.42 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.017 0.927 . . . . 0.0 112.738 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.74 -49.96 75.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.458 1.503 . . . . 0.0 111.376 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.65 -40.09 95.97 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -58.0 -45.94 86.02 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.292 -0.88 . . . . 0.0 111.457 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.11 -47.92 82.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.267 1.427 . . . . 0.0 111.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.469 ' HE1' HD12 ' A' ' 28' ' ' ILE . 1.2 p80 -64.06 -33.35 75.56 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.906 -1.121 . . . . 0.0 112.827 177.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.75 64.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -176.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -79.72 -31.6 41.15 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.384 0.993 . . . . 0.0 113.054 167.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -73.72 -44.36 56.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.35 1.06 . . . . 0.0 111.323 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -84.18 -5.18 59.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.692 1.597 . . . . 0.0 113.091 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 55.22 30.71 15.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 112.685 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.1 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.956 1.702 . . . . 0.0 112.613 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.2 m170 53.57 3.52 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 128.482 2.713 . . . . 0.0 117.295 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -144.87 166.21 25.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.289 2.636 . . . . 0.0 110.119 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.469 HD12 ' HE1' ' A' ' 19' ' ' HIS . 25.2 mm -115.28 156.85 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.689 1.595 . . . . 0.0 110.518 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -114.76 -49.41 2.81 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.354 1.461 . . . . 0.0 110.813 164.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -149.61 162.89 39.31 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.28 147.09 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.648 1.579 . . . . 0.0 109.874 155.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -126.38 108.39 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.191 1.797 . . . . 0.0 108.714 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.2 p -97.97 141.57 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.148 0.979 . . . . 0.0 111.729 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.6 120.41 6.71 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.558 2.028 . . . . 0.0 111.053 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -126.46 127.1 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.17 144.23 48.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.46 0.552 . . . . 0.0 112.384 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -78.47 -3.34 42.98 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.105 -1.233 . . . . 0.0 112.849 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -113.21 -5.72 13.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.267 2.627 . . . . 0.0 113.554 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -72.25 -14.47 61.78 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.31 -1.54 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.208 2.603 . . . . 0.0 117.19 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.84 112.76 5.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.536 1.534 . . . . 0.0 110.462 171.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -62.21 108.52 1.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.546 1.138 . . . . 0.0 112.717 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -53.03 -36.02 60.09 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.496 1.518 . . . . 0.0 114.14 173.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -66.01 -42.76 89.28 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.519 1.127 . . . . 0.0 111.306 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.22 -53.02 62.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.094 0.958 . . . . 0.0 110.352 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -54.54 -54.97 34.07 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.95 -42.48 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.587 -0.696 . . . . 0.0 112.682 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -61.15 -34.11 74.49 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.64 75.26 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.72 0.808 . . . . 0.0 111.818 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -58.4 -44.98 89.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.219 1.007 . . . . 0.0 112.356 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.47 -25.07 68.09 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.272 1.429 . . . . 0.0 113.615 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.5 m -74.61 -59.58 2.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.839 0.856 . . . . 0.0 111.129 164.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -14.1 62.41 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -168.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -53.15 -23.9 9.31 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.658 1.583 . . . . 0.0 114.956 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.23 -23.66 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.914 1.685 . . . . 0.0 113.738 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.1 -25.6 66.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.013 0.925 . . . . 0.0 112.917 172.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -85.24 177.46 7.84 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.659 1.584 . . . . 0.0 112.623 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.37 -42.37 6.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.497 1.119 . . . . 0.0 111.384 154.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -77.79 -33.32 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.112 1.365 . . . . 0.0 112.191 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -76.87 -15.53 59.67 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.566 0.746 . . . . 0.0 112.526 -169.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.28 88.56 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.772 0.715 . . . . 0.0 112.564 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -95.64 73.99 3.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.009 1.324 . . . . 0.0 110.298 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.98 165.74 26.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.801 1.64 . . . . 0.0 112.098 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mm -135.74 142.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.301 1.841 . . . . 0.0 108.684 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tp -115.58 107.9 15.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.477 1.911 . . . . 0.0 109.646 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -91.67 144.88 25.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.915 1.286 . . . . 0.0 111.884 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.9 mm -104.78 142.45 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.275 1.43 . . . . 0.0 110.758 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.97 120.87 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.791 2.036 . . . . 0.0 109.592 171.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.33 100.0 3.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.762 1.225 . . . . 0.0 110.67 172.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.99 142.27 49.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.677 0.791 . . . . 0.0 111.597 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -63.45 156.96 24.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.296 0.638 . . . . 0.0 110.727 166.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.39 154.96 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.86 143.78 26.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.507 1.123 . . . . 0.0 110.132 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.66 111.37 17.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.189 1.796 . . . . 0.0 111.645 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.3 155.03 28.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.042 0.937 . . . . 0.0 112.795 166.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.1 t -80.49 158.6 25.81 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.877 0.871 . . . . 0.0 111.657 165.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -64.13 -65.32 0.69 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.659 1.983 . . . . 0.0 114.103 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -127.11 59.58 1.41 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.743 1.617 . . . . 0.0 111.019 -168.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.86 -157.91 0.83 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.046 2.139 . . . . 0.0 111.313 -164.183 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t -147.48 33.35 0.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.613 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -145.85 150.42 36.12 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.443 1.097 . . . . 0.0 113.066 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.62 150.42 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 126.469 1.908 . . . . 0.0 110.967 172.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.32 175.05 11.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.328 1.451 . . . . 0.0 112.482 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 143.54 26.8 Favored Pre-proline 0 N--CA 1.48 1.029 0 C-N-CA 124.537 1.135 . . . . 0.0 112.748 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.88 118.61 5.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.921 3.081 . . . . 0.0 112.223 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.192 1.397 . . . . 0.0 112.411 178.406 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.639 0 N-CA-C 115.512 0.965 . . . . 0.0 115.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.79 158.42 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.512 1.156 . . . . 0.0 112.519 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.75 147.61 53.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.33 1.052 . . . . 0.0 111.559 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.02 -43.7 86.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.778 0.831 . . . . 0.0 111.913 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -73.56 -56.17 5.37 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 p -114.36 124.12 51.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 111.82 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -79.21 60.1 2.96 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.366 -1.459 . . . . 0.0 113.588 -168.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.7 m -136.86 153.82 50.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.109 2.164 . . . . 0.0 110.773 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -97.45 14.06 27.66 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.711 1.604 . . . . 0.0 113.68 -172.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.18 -2.52 5.87 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.675 2.39 . . . . 0.0 116.353 -172.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.51 151.32 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.896 1.678 . . . . 0.0 113.92 -174.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.21 153.54 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.584 1.554 . . . . 0.0 112.453 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.73 115.85 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.143 1.377 . . . . 0.0 108.522 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -97.39 -8.11 30.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.968 1.307 . . . . 0.0 112.663 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.14 127.11 6.27 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.38 1.872 . . . . 0.0 108.891 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.77 18.21 77.59 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.433 1.016 . . . . 0.0 114.571 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.574 1.55 . . . . 0.0 112.783 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.96 156.83 45.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.317 1.847 . . . . 0.0 111.263 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.0 ptm -79.84 150.05 30.8 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.494 0.718 . . . . 0.0 112.352 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 mtp-105 -150.43 165.74 32.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.575 1.95 . . . . 0.0 110.487 171.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.62 158.64 9.69 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.295 -0.878 . . . . 0.0 112.729 162.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.91 -53.66 2.27 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.865 1.666 . . . . 0.0 111.265 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.4 p -149.47 162.44 40.13 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.991 1.316 . . . . 0.0 111.949 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.18 157.16 46.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.945 1.298 . . . . 0.0 110.116 175.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -139.72 144.75 37.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 111.62 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -125.86 168.22 14.15 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.091 1.756 . . . . 0.0 111.177 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.968 1.307 . . . . 0.0 113.008 179.512 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.52 -27.89 67.97 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -75.98 -2.99 33.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -58.94 -61.18 2.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -55.49 -42.39 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.161 0.985 . . . . 0.0 112.434 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.9 t -57.51 -66.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 127.999 2.519 . . . . 0.0 111.746 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.6 t -52.39 -44.74 65.5 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.832 1.253 . . . . 0.0 112.162 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 m -59.77 -48.35 82.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.455 0.702 . . . . 0.0 112.812 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.86 -51.77 68.6 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.023 0.829 . . . . 0.0 112.738 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.56 -45.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.78 0.832 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.6 56.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.797 . . . . 0.0 112.419 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.87 -52.36 64.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.113 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.34 -35.52 80.57 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -58.0 -48.36 80.27 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.338 0.972 . . . . 0.0 111.38 168.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -65.47 -41.98 92.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.054 0.942 . . . . 0.0 112.296 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.28 -42.93 99.15 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.393 -0.817 . . . . 0.0 111.677 173.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.76 75.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.637 0.653 . . . . 0.0 112.177 -176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -63.56 -34.23 77.35 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.01 -40.93 62.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.606 1.162 . . . . 0.0 111.318 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.54 -5.14 51.89 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.756 1.622 . . . . 0.0 113.152 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.2 31.36 18.22 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.801 2.041 . . . . 0.0 112.256 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -42.93 67.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.021 1.329 . . . . 0.0 112.307 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 48.42 26.82 1.23 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.473 1.909 . . . . 0.0 114.503 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -160.66 159.46 30.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 127.016 2.127 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.9 mt -134.99 142.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.377 1.871 . . . . 0.0 108.392 168.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -94.26 -65.32 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.073 1.349 . . . . 0.0 109.225 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -139.71 162.69 34.51 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.961 1.304 . . . . 0.0 113.432 172.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.42 127.68 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.931 1.693 . . . . 0.0 110.028 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 t -99.49 121.74 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.384 1.473 . . . . 0.0 110.393 -167.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 t -132.01 123.52 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.355 1.062 . . . . 0.0 111.329 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.34 120.56 5.91 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 126.229 1.871 . . . . 0.0 112.463 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mt -116.4 125.47 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.978 1.711 . . . . 0.0 108.526 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.39 141.22 46.87 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.704 0.668 . . . . 0.0 112.928 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.42 -15.6 63.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.323 -1.104 . . . . 0.0 113.269 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -106.28 2.28 26.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 114.13 173.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.0 t -63.46 -37.91 89.12 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.51 1.124 . . . . 0.0 112.45 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.06 10.36 0.59 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.341 2.257 . . . . 0.0 115.732 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.93 144.26 57.4 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.176 -0.952 . . . . 0.0 111.59 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.08 93.09 2.23 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.902 1.281 . . . . 0.0 111.528 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -53.11 -28.53 25.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.37 1.868 . . . . 0.0 114.616 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -57.8 -39.55 77.79 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.308 1.843 . . . . 0.0 112.854 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.67 -46.88 71.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.724 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CE2' HD21 ' A' ' 65' ' ' LEU . 21.3 t80 -58.39 -52.83 63.98 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.271 0.357 . . . . 0.0 111.495 -172.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -44.09 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -63.89 -34.15 77.31 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.773 0.32 . . . . 0.0 111.45 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.97 62.01 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.177 -0.952 . . . . 0.0 111.721 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.25 -54.98 24.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.742 1.217 . . . . 0.0 111.18 171.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -27.3 60.99 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.9 m -56.07 -41.82 75.71 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.075 1.307 . . . . 0.0 112.168 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.24 17.06 4.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.162 . . . . 0.0 113.763 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -31.96 16.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.866 1.212 . . . . 0.0 113.391 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.85 -18.69 60.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.107 1.763 . . . . 0.0 114.218 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.26 -21.02 63.02 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.715 1.206 . . . . 0.0 113.655 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -146.0 128.77 16.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.954 1.301 . . . . 0.0 111.877 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.47 -32.29 68.62 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.15 -22.7 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.5 t -74.7 -24.16 58.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.004 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -60.14 -14.71 18.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.345 1.458 . . . . 0.0 114.772 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -111.48 -7.27 14.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.168 1.387 . . . . 0.0 113.959 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.03 148.29 46.0 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.024 0.93 . . . . 0.0 112.633 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.4 mt -130.84 150.09 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.16 1.784 . . . . 0.0 108.882 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD21 ' CE2' ' A' ' 46' ' ' PHE . 14.0 tp -85.83 139.76 31.0 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.219 -0.926 . . . . 0.0 111.539 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -116.83 88.77 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.258 1.423 . . . . 0.0 110.361 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.9 mt -71.81 117.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.767 1.627 . . . . 0.0 110.076 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.1 t -106.62 124.61 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.976 1.71 . . . . 0.0 110.084 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -71.69 93.46 1.27 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.389 1.476 . . . . 0.0 111.302 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -75.19 138.84 42.24 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.891 1.276 . . . . 0.0 111.788 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.75 161.92 19.76 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.673 -0.642 . . . . 0.0 111.051 168.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.07 152.77 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.929 1.291 . . . . 0.0 111.822 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -151.59 144.46 24.44 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.32 97.02 5.22 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.1 2.16 . . . . 0.0 111.583 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 82' ' ' VAL . 10.7 mt-10 -68.87 154.11 42.6 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.352 1.461 . . . . 0.0 112.021 165.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 6.1 t -79.92 163.09 24.59 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.685 0.755 . . . . 0.0 111.573 161.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.99 -69.38 0.31 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.218 1.807 . . . . 0.0 114.355 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.63 58.88 1.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.696 1.598 . . . . 0.0 110.977 -167.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.8 OUTLIER -140.88 -155.4 0.58 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.483 1.913 . . . . 0.0 111.85 -160.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -152.49 61.65 0.81 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.525 1.13 . . . . 0.0 110.387 163.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -152.93 154.51 35.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.297 1.039 . . . . 0.0 113.134 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 1.2 p -152.69 140.27 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 127.302 2.241 . . . . 0.0 110.705 171.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -173.25 3.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.17 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -93.59 153.06 41.29 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.399 1.08 . . . . 0.0 111.325 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.46 -175.64 2.79 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.31 2.673 . . . . 0.0 112.334 174.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 N--CA 1.469 0.512 0 C-N-CA 127.451 2.3 . . . . 0.0 113.181 -177.242 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.48 0 CA-C-O 120.72 0.067 . . . . 0.0 113.05 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.7 m -75.12 162.87 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.656 1.582 . . . . 0.0 112.505 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.52 135.14 57.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.2 1.0 . . . . 0.0 109.564 165.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.18 -25.03 65.05 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.347 -0.846 . . . . 0.0 113.082 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -85.66 -56.97 3.24 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.626 1.17 . . . . 0.0 112.274 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.9 p -113.08 114.16 26.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.318 1.447 . . . . 0.0 111.419 -176.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -76.56 68.41 2.85 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -162.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.0 m -140.61 155.2 46.62 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.599 2.359 . . . . 0.0 110.196 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -92.3 19.87 6.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.19 1.396 . . . . 0.0 113.515 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.08 -3.1 11.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.796 2.038 . . . . 0.0 115.708 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -52.35 144.92 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.288 1.435 . . . . 0.0 113.267 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.69 149.79 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.498 1.519 . . . . 0.0 112.713 -178.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.81 103.13 5.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.164 1.385 . . . . 0.0 108.071 -173.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.3 t -88.76 -9.14 52.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.585 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -151.98 117.62 5.39 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.678 1.991 . . . . 0.0 108.163 -168.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.84 78.1 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 115.95 1.14 . . . . 0.0 115.95 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.91 -34.64 76.43 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.932 1.366 . . . . 0.0 112.379 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -134.76 157.37 46.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.664 1.986 . . . . 0.0 109.937 169.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.4 ptm -75.03 151.71 38.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 112.446 171.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -150.32 157.62 43.26 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.685 1.594 . . . . 0.0 111.828 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.85 156.86 8.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.799 165.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.28 -50.58 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.706 1.603 . . . . 0.0 112.052 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 t -160.3 179.24 8.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.607 1.563 . . . . 0.0 111.337 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.73 165.25 27.77 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.408 1.483 . . . . 0.0 110.7 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.62 122.34 25.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.49 1.516 . . . . 0.0 109.633 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 77.9 mtm -126.2 100.52 6.35 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.875 1.67 . . . . 0.0 110.111 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.146 1.778 . . . . 0.0 112.812 -178.397 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 t60 . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.06 -27.72 61.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.259 1.824 . . . . 0.0 113.778 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.92 -14.26 14.6 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.941 1.297 . . . . 0.0 113.702 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -58.09 -51.23 70.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.332 1.053 . . . . 0.0 111.148 170.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -54.57 -47.49 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.032 0.933 . . . . 0.0 112.153 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.84 -62.34 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 127.026 2.131 . . . . 0.0 111.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -57.96 -39.0 77.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.967 1.307 . . . . 0.0 112.236 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 t -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.795 0.838 . . . . 0.0 111.6 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.76 -46.75 88.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.945 0.898 . . . . 0.0 112.768 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.91 -50.49 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.026 1.33 . . . . 0.0 111.544 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.14 83.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.145 0.978 . . . . 0.0 112.933 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -59.81 -50.44 73.78 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.966 1.306 . . . . 0.0 111.964 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 t -63.46 -40.08 96.17 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.544 0.611 . . . . 0.0 112.472 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -55.35 -52.56 63.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.992 0.917 . . . . 0.0 112.491 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.88 -45.53 89.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.761 0.824 . . . . 0.0 112.803 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -61.14 -43.2 99.25 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.386 -0.821 . . . . 0.0 111.766 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.29 73.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.726 -0.609 . . . . 0.0 112.37 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -64.29 -31.94 73.34 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.228 0.922 . . . . 0.0 113.125 175.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -72.95 -37.85 66.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.293 1.037 . . . . 0.0 111.173 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.08 -1.47 44.36 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.84 1.656 . . . . 0.0 113.134 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 57.04 25.19 10.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.341 2.256 . . . . 0.0 113.232 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.08 48.98 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.709 1.604 . . . . 0.0 112.778 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.2 m80 54.93 6.39 0.13 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 127.887 2.475 . . . . 0.0 117.139 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -145.8 166.24 26.5 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 128.271 2.628 . . . . 0.0 110.068 162.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.7 mt -107.48 155.89 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.961 1.704 . . . . 0.0 108.346 170.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -95.36 -60.43 1.67 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.862 -1.149 . . . . 0.0 109.403 159.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -152.34 162.31 41.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 112.846 174.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.16 153.05 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 126.463 1.905 . . . . 0.0 108.884 163.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.3 t -128.67 123.55 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.897 1.279 . . . . 0.0 109.046 -174.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 p -113.38 149.55 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.678 1.191 . . . . 0.0 111.202 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.69 99.18 0.84 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 126.471 1.986 . . . . 0.0 109.784 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mt -95.64 127.18 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.295 1.038 . . . . 0.0 109.371 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.48 136.62 44.83 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 122.326 0.959 . . . . 0.0 113.232 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -23.65 64.58 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.183 2.193 . . . . 0.0 114.398 174.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -112.19 2.13 16.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.116 1.766 . . . . 0.0 113.738 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.5 m -65.51 -28.52 69.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.238 1.015 . . . . 0.0 113.276 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.87 7.05 0.25 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.713 2.405 . . . . 0.0 116.49 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.9 mtm -71.65 130.12 40.38 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.308 . . . . 0.0 110.678 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -65.26 102.27 0.64 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.698 1.199 . . . . 0.0 111.91 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -55.2 -35.85 65.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.539 1.135 . . . . 0.0 113.529 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -62.25 -44.13 97.25 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.7 1.6 . . . . 0.0 111.613 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -54.12 49.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.154 0.982 . . . . 0.0 110.262 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -55.05 -52.62 62.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.65 0.78 . . . . 0.0 113.103 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.39 -40.68 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.095 -1.003 . . . . 0.0 113.447 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -62.63 -33.68 75.51 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.886 0.312 . . . . 0.0 111.563 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.73 68.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.963 0.905 . . . . 0.0 111.695 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.81 -45.69 70.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.731 0.812 . . . . 0.0 112.501 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.78 -53.24 60.29 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.46 1.104 . . . . 0.0 112.027 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.3 m -50.56 -45.55 57.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.285 1.034 . . . . 0.0 112.16 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -87.63 18.93 3.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.13 -29.41 9.03 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.573 1.078 . . . . 0.0 113.904 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.56 -15.15 57.38 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.131 2.172 . . . . 0.0 114.716 -178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.32 -14.02 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.283 -0.886 . . . . 0.0 113.153 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -130.92 174.73 9.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.935 2.494 . . . . 0.0 109.644 168.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tp -99.91 -34.14 10.24 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.906 -1.121 . . . . 0.0 113.039 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.05 -21.82 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.89 0.876 . . . . 0.0 112.739 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.3 m -75.6 -12.19 60.16 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.502 1.121 . . . . 0.0 112.704 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.51 66.56 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.4 84.23 2.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.043 1.737 . . . . 0.0 109.937 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.48 166.36 30.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 112.686 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.9 mt -131.48 147.85 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 127.316 2.247 . . . . 0.0 108.02 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tp -122.44 102.02 7.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.72 1.208 . . . . 0.0 110.109 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.52 133.57 34.45 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.355 1.862 . . . . 0.0 112.095 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.3 105.03 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.756 1.222 . . . . 0.0 111.026 -172.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.1 t -80.23 122.83 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.037 1.335 . . . . 0.0 109.825 167.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.44 109.16 5.94 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 110.478 163.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.9 174.83 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.88 143.98 48.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.591 1.956 . . . . 0.0 110.617 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.23 156.75 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.356 1.062 . . . . 0.0 113.431 -172.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -158.01 136.02 10.75 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.151 1.38 . . . . 0.0 111.602 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -124.0 109.26 13.32 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.073 1.749 . . . . 0.0 110.8 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.95 150.73 27.54 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.946 0.898 . . . . 0.0 112.673 172.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 4.6 t -78.83 156.69 28.6 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 121.907 0.86 . . . . 0.0 111.416 167.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -62.39 -65.9 0.62 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.777 2.031 . . . . 0.0 114.791 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.52 60.2 1.58 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.462 1.505 . . . . 0.0 111.013 -170.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 3.1 t -136.21 -150.77 0.38 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.614 1.966 . . . . 0.0 111.736 -161.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 t -146.1 17.75 1.39 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.99 1.316 . . . . 0.0 113.123 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -140.09 150.81 44.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.475 1.11 . . . . 0.0 113.659 -166.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.52 149.73 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.955 2.102 . . . . 0.0 110.514 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -145.82 176.91 9.31 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -104.87 121.41 46.82 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 126.141 1.776 . . . . 0.0 111.12 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -62.68 110.96 1.21 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.46 3.44 . . . . 0.0 112.472 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 125.823 1.649 . . . . 0.0 111.379 -179.423 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.647 0 N-CA-C 116.234 1.254 . . . . 0.0 116.234 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 m -62.55 173.69 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.501 1.92 . . . . 0.0 112.327 168.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.82 158.15 6.71 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.819 0.818 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.0 -41.8 63.92 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.416 -0.802 . . . . 0.0 110.831 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -84.55 -60.02 2.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.586 1.154 . . . . 0.0 112.541 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -72.14 179.06 3.48 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.448 1.499 . . . . 0.0 110.65 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -124.12 34.2 5.1 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.904 -1.122 . . . . 0.0 112.801 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m -131.45 156.21 46.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.817 1.247 . . . . 0.0 111.346 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -90.89 30.19 1.24 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.183 1.793 . . . . 0.0 112.182 174.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.23 -7.28 29.09 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.317 1.847 . . . . 0.0 114.628 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.84 154.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.976 1.71 . . . . 0.0 113.619 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.24 153.7 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.727 1.611 . . . . 0.0 111.623 173.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 103' ' ' ILE . 4.6 mp -69.36 119.93 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 125.071 1.348 . . . . 0.0 108.096 177.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -102.81 -11.71 18.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.007 0.923 . . . . 0.0 111.411 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -159.42 132.6 7.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.371 1.868 . . . . 0.0 108.856 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.35 -14.43 39.54 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.374 0.988 . . . . 0.0 114.569 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.82 -47.5 71.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.446 1.898 . . . . 0.0 112.803 171.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -132.85 156.02 47.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.079 1.351 . . . . 0.0 112.494 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.5 ptm -77.52 157.17 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.055 1.342 . . . . 0.0 113.055 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -145.11 159.49 42.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.353 1.861 . . . . 0.0 110.852 167.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.91 150.93 47.83 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.823 -0.548 . . . . 0.0 110.649 160.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.54 -41.44 2.7 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.513 1.525 . . . . 0.0 112.487 -174.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.8 m -162.89 167.57 22.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 110.953 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 mt -132.27 158.77 40.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.243 1.417 . . . . 0.0 109.254 165.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -140.69 145.61 36.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.343 1.057 . . . . 0.0 111.663 172.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.3 mtt -124.87 166.69 15.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.771 2.029 . . . . 0.0 110.992 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.684 1.194 . . . . 0.0 112.989 -176.32 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.4 t60 . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.81 -16.82 53.07 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.32 -3.19 14.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.524 1.53 . . . . 0.0 113.664 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -61.06 -57.28 13.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.888 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -56.62 -41.89 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.086 0.955 . . . . 0.0 112.333 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.1 -65.15 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -57.47 -39.03 75.49 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.334 1.054 . . . . 0.0 112.3 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -59.14 -47.47 85.18 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.077 0.951 . . . . 0.0 111.688 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.38 -51.72 65.88 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.008 0.923 . . . . 0.0 112.14 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.4 mm -54.96 -46.91 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.107 0.867 . . . . 0.0 111.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.96 77.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.805 0.842 . . . . 0.0 112.942 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.55 -47.52 85.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.398 1.079 . . . . 0.0 111.962 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -48.84 -57.36 6.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.707 1.603 . . . . 0.0 111.962 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -54.8 -50.81 67.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.361 1.064 . . . . 0.0 111.985 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.74 -44.28 93.85 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.238 1.015 . . . . 0.0 112.827 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.55 -43.77 96.86 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.238 -0.914 . . . . 0.0 111.577 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.79 84.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.633 0.651 . . . . 0.0 112.623 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -65.85 -32.91 74.7 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.53 1.059 . . . . 0.0 113.161 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -72.53 -41.81 65.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.536 1.134 . . . . 0.0 110.971 -178.159 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -79.7 -2.96 45.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.87 1.668 . . . . 0.0 113.149 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 54.7 28.59 10.32 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.097 2.159 . . . . 0.0 112.733 -176.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.41 -39.82 45.72 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.791 1.637 . . . . 0.0 112.39 -175.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.9 m80 54.25 11.64 0.41 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.529 2.332 . . . . 0.0 116.271 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -146.12 159.61 43.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.016 2.527 . . . . 0.0 110.309 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.9 mt -139.88 133.54 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 108.969 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.84 -57.22 3.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.749 1.22 . . . . 0.0 110.386 174.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -156.62 167.36 30.7 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.31 121.67 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.317 2.247 . . . . 0.0 110.965 170.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 t -82.53 127.62 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.027 1.731 . . . . 0.0 109.468 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.31 119.47 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.588 1.155 . . . . 0.0 111.605 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.74 122.94 6.06 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.143 1.354 . . . . 0.0 112.565 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -118.52 125.22 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.82 1.648 . . . . 0.0 109.329 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.21 140.0 46.31 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.086 0.851 . . . . 0.0 113.304 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.57 -14.45 62.95 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.412 -1.052 . . . . 0.0 113.188 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -114.85 11.58 16.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.039 2.136 . . . . 0.0 114.134 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 p -64.5 -22.44 66.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.9 13.32 1.44 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.596 2.359 . . . . 0.0 115.052 -171.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.8 mtt -75.31 144.95 42.18 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.101 -0.999 . . . . 0.0 111.417 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -77.26 90.24 3.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.096 0.958 . . . . 0.0 110.743 172.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -52.18 -38.6 58.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.106 1.362 . . . . 0.0 113.445 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.8 t -63.17 -48.42 78.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.322 1.849 . . . . 0.0 112.066 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.98 -47.17 86.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.018 0.927 . . . . 0.0 110.942 173.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.98 -54.83 40.01 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.377 0.671 . . . . 0.0 112.195 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.59 -46.0 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 p -64.93 -29.12 70.04 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.92 54.52 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.808 1.243 . . . . 0.0 111.153 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.65 -58.19 5.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.52 0.728 . . . . 0.0 111.098 171.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.23 -21.25 66.29 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -73.18 -57.07 4.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.717 1.607 . . . . 0.0 110.997 168.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.77 -9.91 53.58 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -46.79 -37.96 9.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.476 1.489 . . . . 0.0 112.441 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.3 -9.16 22.01 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -174.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -22.05 64.06 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.713 0.805 . . . . 0.0 112.481 165.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.7 m -141.27 130.69 23.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.966 1.706 . . . . 0.0 112.603 -173.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.16 -44.92 96.55 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.472 -1.393 . . . . 0.0 112.806 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 m -69.06 -23.14 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.547 1.139 . . . . 0.0 112.894 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -78.18 -23.89 47.44 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 125.843 1.657 . . . . 0.0 112.989 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.24 -17.59 64.83 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.1 -15.14 44.92 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.816 1.247 . . . . 0.0 113.858 170.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 155.9 33.91 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -170.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.7 mt -126.49 149.77 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 127.661 2.384 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.96 126.61 38.13 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.851 . . . . 0.0 110.455 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 86.01 2.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.063 1.345 . . . . 0.0 110.555 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.45 133.97 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 110.274 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.2 t -122.23 125.49 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.544 1.938 . . . . 0.0 110.002 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -72.37 102.59 3.19 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.976 1.31 . . . . 0.0 111.523 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.4 121.69 27.91 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.486 1.114 . . . . 0.0 111.356 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -59.94 137.24 58.12 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.266 1.026 . . . . 0.0 110.788 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.17 159.38 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.921 0.889 . . . . 0.0 111.649 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -151.7 135.86 16.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.133 0.973 . . . . 0.0 112.39 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.89 95.71 5.04 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 127.907 2.483 . . . . 0.0 110.901 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.69 161.99 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 129.309 3.044 . . . . 0.0 112.342 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 7.4 t -101.64 158.06 16.37 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.299 1.44 . . . . 0.0 112.471 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -61.25 -61.9 2.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.65 1.58 . . . . 0.0 114.851 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -132.56 60.92 1.68 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.25 -156.5 0.69 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.438 1.895 . . . . 0.0 111.879 -163.367 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p -145.77 12.8 1.31 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -132.82 140.22 47.87 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.292 1.037 . . . . 0.0 113.618 -176.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.38 138.97 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 127.902 2.481 . . . . 0.0 110.007 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.31 -174.5 3.71 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.497 1.519 . . . . 0.0 112.995 -174.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 145.53 30.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.604 1.162 . . . . 0.0 110.701 165.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.79 153.63 43.04 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.152 2.568 . . . . 0.0 112.399 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 127.643 2.377 . . . . 0.0 109.257 176.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.657 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -67.27 151.37 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.468 1.507 . . . . 0.0 112.48 170.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.26 137.23 57.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.853 0.861 . . . . 0.0 109.991 164.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -19.86 54.52 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -79.63 -55.43 5.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.274 1.03 . . . . 0.0 111.527 167.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -119.57 106.61 12.36 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.49 1.516 . . . . 0.0 111.34 -174.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -72.66 69.42 0.89 Allowed 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -163.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -143.39 151.57 40.56 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.231 2.612 . . . . 0.0 110.016 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -86.29 17.02 3.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 113.749 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.69 -4.98 21.97 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.3 1.84 . . . . 0.0 115.682 -174.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.4 m -52.11 146.44 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.529 1.532 . . . . 0.0 113.587 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.56 152.22 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.13 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.19 105.1 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.548 1.139 . . . . 0.0 108.22 -176.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 t -88.72 -12.3 42.68 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.908 0.883 . . . . 0.0 112.623 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -155.68 125.61 6.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.784 2.034 . . . . 0.0 107.607 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.03 7.02 81.27 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 123.909 0.766 . . . . 0.0 114.87 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.22 -49.22 70.51 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.711 1.604 . . . . 0.0 111.463 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.77 164.38 26.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.763 2.025 . . . . 0.0 110.827 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 ptm -87.56 155.68 19.86 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.11 0.964 . . . . 0.0 112.9 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -148.26 149.85 32.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.335 1.454 . . . . 0.0 111.819 172.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.09 151.23 47.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 165.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -113.97 -61.53 1.73 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.119 1.768 . . . . 0.0 111.041 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -150.21 167.14 27.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.942 1.697 . . . . 0.0 111.559 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -128.63 164.77 22.16 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.418 1.087 . . . . 0.0 111.165 168.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -131.43 140.33 49.6 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.929 1.692 . . . . 0.0 110.527 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 63.3 mtt -132.19 120.15 21.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.268 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.46 1.504 . . . . 0.0 109.606 175.042 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.34 -42.84 92.44 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.821 -1.174 . . . . 0.0 112.501 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -80.36 1.24 29.68 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.9 t -57.86 -54.19 49.74 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.237 0.926 . . . . 0.0 111.755 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.83 -47.89 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.16 0.584 . . . . 0.0 110.769 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.75 -63.05 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.764 1.225 . . . . 0.0 111.153 -172.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -55.63 -39.42 70.82 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.599 1.56 . . . . 0.0 112.655 175.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -59.98 -43.82 94.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.121 0.568 . . . . 0.0 112.172 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -56.71 -46.7 81.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.873 0.869 . . . . 0.0 112.001 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.13 -51.63 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.198 0.599 . . . . 0.0 110.833 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.52 85.3 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.721 1.208 . . . . 0.0 112.919 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 mt -58.32 -51.29 70.42 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.62 1.568 . . . . 0.0 111.597 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.4 m -55.54 -49.25 73.15 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.762 0.825 . . . . 0.0 112.64 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.32 -54.6 41.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.822 0.849 . . . . 0.0 111.954 173.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.67 -49.2 78.67 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.326 1.05 . . . . 0.0 113.187 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -61.89 -39.86 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.205 -0.934 . . . . 0.0 111.808 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.41 86.87 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.942 0.792 . . . . 0.0 112.824 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -31.45 69.74 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.912 1.233 . . . . 0.0 113.086 172.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -74.51 -40.08 62.0 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.654 1.182 . . . . 0.0 111.339 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.99 -4.6 53.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.568 1.547 . . . . 0.0 113.013 171.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 59.54 26.2 15.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.873 2.069 . . . . 0.0 112.722 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.03 -39.53 25.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.165 1.786 . . . . 0.0 112.51 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 46.24 32.31 1.45 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.658 1.983 . . . . 0.0 114.431 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.51 167.4 9.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 128.912 2.885 . . . . 0.0 110.076 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -126.76 167.82 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 126.568 1.947 . . . . 0.0 109.081 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -120.05 -56.68 2.0 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.383 1.473 . . . . 0.0 111.45 164.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -152.47 116.56 4.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.884 0.765 . . . . 0.0 111.691 -168.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.26 106.13 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.929 1.291 . . . . 0.0 110.512 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 t -85.44 122.17 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.679 1.592 . . . . 0.0 110.015 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.82 128.32 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.968 1.307 . . . . 0.0 110.508 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.19 125.48 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.927 1.251 . . . . 0.0 111.74 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.96 117.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.203 1.401 . . . . 0.0 108.796 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 141.13 44.89 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.39 -9.02 51.65 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.978 -1.307 . . . . 0.0 113.261 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -103.63 8.51 37.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.691 1.997 . . . . 0.0 114.084 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.3 p -61.08 -27.21 68.19 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.59 18.68 4.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.153 2.181 . . . . 0.0 114.765 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.9 mtm -103.61 147.5 27.13 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.82 1.248 . . . . 0.0 112.455 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -82.08 114.22 20.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.719 1.208 . . . . 0.0 111.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -55.12 -36.94 66.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.379 1.072 . . . . 0.0 113.443 173.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 t -62.19 -45.01 95.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.287 1.435 . . . . 0.0 111.461 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.21 -46.62 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.694 0.797 . . . . 0.0 111.274 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.61 -53.57 56.5 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.33 -44.14 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.112 0.869 . . . . 0.0 112.332 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.3 t -60.21 -34.64 73.93 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 117.65 0.204 . . . . 0.0 111.473 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.65 -46.06 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.725 0.81 . . . . 0.0 111.693 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.82 -48.03 78.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.457 0.703 . . . . 0.0 111.858 173.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -64.27 -32.01 73.43 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.055 0.942 . . . . 0.0 113.445 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -64.25 -55.08 24.02 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.22 -0.925 . . . . 0.0 111.453 168.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -76.19 -7.9 55.86 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -53.72 -33.01 54.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.903 1.229 . . . . 0.0 113.705 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.75 -30.24 43.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.739 2.016 . . . . 0.0 114.104 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.25 -21.02 64.85 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.088 1.355 . . . . 0.0 114.071 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.3 m -138.83 126.28 21.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.207 1.403 . . . . 0.0 112.627 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.37 -44.97 80.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.576 1.15 . . . . 0.0 111.702 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -66.53 -26.82 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.801 0.84 . . . . 0.0 113.178 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -78.11 -22.78 48.37 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.807 1.243 . . . . 0.0 112.517 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.65 -9.95 56.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.182 0.993 . . . . 0.0 113.245 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.53 65.73 1.16 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.931 2.092 . . . . 0.0 110.041 169.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.47 160.21 40.72 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.054 1.741 . . . . 0.0 111.641 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.98 143.22 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.376 1.87 . . . . 0.0 108.885 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.79 155.45 37.6 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.11 0.964 . . . . 0.0 112.74 175.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.22 89.28 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.561 1.145 . . . . 0.0 111.236 160.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -77.02 104.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.568 1.147 . . . . 0.0 110.618 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.16 119.68 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.127 1.771 . . . . 0.0 109.885 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -71.61 110.46 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 110.31 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 139.92 36.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.711 0.804 . . . . 0.0 112.392 -177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -73.03 167.87 20.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.153 0.981 . . . . 0.0 111.81 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.424 HG12 ' HA3' ' A' ' 106' ' ' GLY . 4.8 m -122.78 158.98 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.419 1.487 . . . . 0.0 111.063 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -145.33 127.96 16.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.416 0.687 . . . . 0.0 112.517 -170.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -108.33 98.95 8.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.775 2.03 . . . . 0.0 110.269 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.8 147.38 48.98 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.946 2.098 . . . . 0.0 111.34 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.97 162.74 28.73 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 121.772 0.796 . . . . 0.0 110.993 154.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -61.14 -75.86 0.06 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.554 1.942 . . . . 0.0 114.639 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.12 61.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.621 1.568 . . . . 0.0 110.0 -169.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.27 -153.12 0.45 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.574 1.95 . . . . 0.0 111.273 -161.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.4 p -140.19 3.86 1.99 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -127.56 153.85 45.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.478 1.511 . . . . 0.0 113.202 -174.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.62 154.16 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.593 1.957 . . . . 0.0 109.942 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -140.38 -178.13 5.35 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.31 1.044 . . . . 0.0 112.964 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 140.36 21.13 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 125.542 1.537 . . . . 0.0 111.142 173.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.18 123.57 8.89 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.096 2.531 . . . . 0.0 111.57 -173.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.842 1.257 . . . . 0.0 111.091 177.84 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.033 0 CA-C-O 120.512 -0.049 . . . . 0.0 113.029 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.55 161.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.553 1.941 . . . . 0.0 112.09 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.06 128.27 36.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.05 0.928 . . . . 0.0 110.812 163.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -67.42 -22.81 65.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.917 0.887 . . . . 0.0 112.853 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -83.76 -50.32 8.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.301 1.04 . . . . 0.0 111.324 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -127.92 97.23 4.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.461 1.904 . . . . 0.0 111.294 -175.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -59.71 67.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.97 2.508 . . . . 0.0 116.561 -169.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.3 m -140.28 159.08 42.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.389 2.676 . . . . 0.0 111.568 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.41 8.92 19.74 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.249 2.219 . . . . 0.0 113.873 -176.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -65.61 -7.73 16.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.951 2.1 . . . . 0.0 116.192 -172.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.1 m -53.29 150.6 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.927 1.691 . . . . 0.0 114.319 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.87 153.41 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.819 1.648 . . . . 0.0 112.912 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.2 mp -78.31 113.55 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.412 1.485 . . . . 0.0 107.7 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.2 t -98.35 -11.82 22.11 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.246 1.018 . . . . 0.0 112.062 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -154.64 131.08 10.51 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.217 2.207 . . . . 0.0 107.779 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.424 ' HA3' HG12 ' A' ' 72' ' ' VAL . . . 112.73 -5.1 26.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.194 0.902 . . . . 0.0 115.251 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -61.47 -30.42 70.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.414 1.886 . . . . 0.0 113.371 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -144.05 -178.64 6.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.88 2.072 . . . . 0.0 112.101 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -105.5 149.88 25.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.39 1.076 . . . . 0.0 111.039 155.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -149.03 148.97 30.35 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.454 1.502 . . . . 0.0 111.044 175.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.78 158.48 15.64 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.813 -0.554 . . . . 0.0 112.422 167.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.86 -57.8 1.42 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 111.411 -175.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 m -150.05 167.81 25.71 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.222 1.409 . . . . 0.0 111.585 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 118.73 12.16 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 110.683 163.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -75.91 147.73 38.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.338 0.655 . . . . 0.0 109.779 170.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 56.0 mtt -137.57 140.15 40.85 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.169 1.788 . . . . 0.0 109.585 176.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 124.715 1.206 . . . . 0.0 112.28 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.25 -16.49 63.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.967 1.307 . . . . 0.0 114.404 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -95.73 -3.51 45.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.436 1.095 . . . . 0.0 113.6 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -54.35 -54.46 40.14 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.165 0.986 . . . . 0.0 111.859 172.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 p -55.79 -47.04 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.171 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.88 -55.04 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 111.83 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -56.31 -44.85 80.32 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.536 1.135 . . . . 0.0 111.519 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -61.83 -46.35 89.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.865 0.866 . . . . 0.0 112.279 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.66 -54.83 41.56 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.945 1.698 . . . . 0.0 110.89 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.62 -42.36 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.907 0.883 . . . . 0.0 111.796 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.03 92.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.77 -45.09 91.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.242 1.017 . . . . 0.0 111.896 174.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.0 m -53.05 -52.81 57.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.561 1.144 . . . . 0.0 112.554 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -51.47 -58.4 6.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.133 1.373 . . . . 0.0 111.486 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -48.27 82.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.832 1.253 . . . . 0.0 113.33 -176.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -64.34 -38.4 90.89 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.306 -0.872 . . . . 0.0 112.023 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.37 73.75 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.008 0.822 . . . . 0.0 112.395 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -64.21 -32.95 74.73 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.285 0.948 . . . . 0.0 112.925 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -74.31 -38.19 63.4 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.143 0.977 . . . . 0.0 111.38 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -79.96 -2.4 43.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.216 1.406 . . . . 0.0 113.151 171.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 56.34 29.15 14.56 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.757 2.023 . . . . 0.0 112.373 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.8 -37.71 34.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.96 1.304 . . . . 0.0 112.39 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 53.43 12.87 0.39 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.281 2.232 . . . . 0.0 115.743 -176.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -156.84 171.83 19.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.626 2.371 . . . . 0.0 111.477 165.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.6 mt -132.01 143.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.466 1.906 . . . . 0.0 109.004 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -83.45 -68.5 0.71 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.874 1.27 . . . . 0.0 109.854 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -139.71 115.03 9.82 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.824 1.65 . . . . 0.0 112.592 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.3 t -65.77 131.2 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 159.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.7 t -105.32 118.91 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.033 1.333 . . . . 0.0 109.413 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 t -134.43 129.75 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.109 0.964 . . . . 0.0 111.804 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.21 138.63 14.01 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.873 1.225 . . . . 0.0 112.893 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -127.67 125.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.724 1.61 . . . . 0.0 108.629 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.51 143.84 43.04 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.407 0.527 . . . . 0.0 112.211 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.74 -10.85 58.91 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.336 -1.097 . . . . 0.0 112.986 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -115.62 8.58 15.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.082 2.153 . . . . 0.0 114.17 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -67.89 -13.93 62.55 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.71 -6.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 128.812 2.845 . . . . 0.0 117.48 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -72.99 132.56 43.57 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.471 1.509 . . . . 0.0 110.829 172.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.37 111.4 3.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.726 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -53.69 -39.68 65.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.694 1.198 . . . . 0.0 113.22 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.22 -41.01 97.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.727 1.611 . . . . 0.0 112.281 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.59 -43.43 93.85 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.48 -0.762 . . . . 0.0 111.722 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.47 -53.17 61.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.361 0.982 . . . . 0.0 112.532 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 65' ' ' LEU . 9.7 p -61.32 -44.62 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 118.579 0.627 . . . . 0.0 112.615 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -62.02 -32.94 73.48 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.8 -44.23 70.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.487 -0.758 . . . . 0.0 111.611 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.78 -50.73 60.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.535 0.734 . . . . 0.0 112.069 169.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.63 -16.71 59.49 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -64.13 -54.95 25.83 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.662 -1.274 . . . . 0.0 111.046 164.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -86.19 8.96 19.02 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -50.51 -30.47 12.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.026 1.33 . . . . 0.0 113.381 175.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.39 -18.68 11.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.534 1.934 . . . . 0.0 114.351 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.52 -27.51 69.02 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.218 1.407 . . . . 0.0 113.411 172.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.1 m -153.75 130.48 10.81 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -174.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.63 -31.0 65.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.663 1.185 . . . . 0.0 112.771 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.24 -27.41 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.387 0.675 . . . . 0.0 112.68 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -88.41 -35.12 17.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.989 1.716 . . . . 0.0 112.521 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -56.51 -26.07 53.41 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -114.33 1.0 14.31 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.249 1.419 . . . . 0.0 113.989 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.25 170.81 9.69 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.754 1.221 . . . . 0.0 113.745 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.7 mt -124.06 158.76 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.012 2.125 . . . . 0.0 109.384 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 47' ' ' VAL . 6.0 tt -119.31 102.12 8.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.722 1.609 . . . . 0.0 109.885 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.62 98.52 9.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.95 2.5 . . . . 0.0 111.082 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.5 mt -80.32 134.75 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.914 1.286 . . . . 0.0 111.045 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.51 132.43 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.769 2.027 . . . . 0.0 110.746 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.4 110.56 8.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.113 1.365 . . . . 0.0 111.094 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.98 132.07 43.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.229 1.012 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -79.75 168.85 18.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.48 -0.762 . . . . 0.0 112.702 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.45 137.42 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.907 1.683 . . . . 0.0 109.829 -174.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -137.98 129.32 27.72 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.882 0.873 . . . . 0.0 111.936 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt -106.38 104.1 13.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.359 1.863 . . . . 0.0 110.939 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.26 149.88 30.23 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.447 -0.783 . . . . 0.0 112.393 168.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.9 t -79.28 150.77 31.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 0.0 111.681 169.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -58.95 -59.96 4.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.665 1.986 . . . . 0.0 114.637 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.3 58.79 1.71 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 111.495 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.94 -156.75 0.72 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.707 2.003 . . . . 0.0 111.485 -164.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.9 p -145.08 15.37 1.52 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -132.67 152.44 51.69 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.526 1.53 . . . . 0.0 112.452 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -139.13 150.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.534 1.933 . . . . 0.0 110.472 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -143.82 178.05 8.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.23 1.012 . . . . 0.0 113.073 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -97.2 142.75 25.01 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.552 1.541 . . . . 0.0 111.865 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.27 132.79 37.62 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.642 2.228 . . . . 0.0 113.414 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 m120 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 127.597 2.359 . . . . 0.0 110.046 176.026 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.331 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.3 m -62.72 153.0 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.65 1.18 . . . . 0.0 113.265 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.14 144.91 53.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.159 1.384 . . . . 0.0 111.214 173.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.39 -39.09 91.78 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.611 0.764 . . . . 0.0 111.814 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -75.31 -55.53 5.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.335 1.454 . . . . 0.0 112.268 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.6 p -119.0 127.28 53.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.424 1.49 . . . . 0.0 112.223 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -80.39 63.35 4.83 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.277 -1.514 . . . . 0.0 113.732 -167.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.4 t -144.97 155.31 43.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.125 1.77 . . . . 0.0 110.061 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -104.09 31.73 4.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.875 1.67 . . . . 0.0 112.647 -175.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.01 -1.28 3.91 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.611 2.765 . . . . 0.0 115.68 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -58.83 157.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.019 1.728 . . . . 0.0 113.83 -175.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.9 152.41 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.001 1.321 . . . . 0.0 112.795 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 103' ' ' ILE . 1.5 mp -73.2 111.71 8.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 125.31 1.444 . . . . 0.0 108.197 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.3 t -103.6 -5.83 22.28 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.374 1.07 . . . . 0.0 112.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -159.25 130.87 6.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 127.284 2.234 . . . . 0.0 107.467 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.35 14.54 55.62 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.705 1.042 . . . . 0.0 115.705 172.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -54.95 -45.61 74.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.765 1.626 . . . . 0.0 111.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.9 170.16 22.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.573 2.349 . . . . 0.0 111.242 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -66.25 165.2 14.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 113.323 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -159.71 145.16 15.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.1 1.76 . . . . 0.0 111.956 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.39 148.39 50.75 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.507 -0.746 . . . . 0.0 110.474 164.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.34 -60.15 1.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.345 1.458 . . . . 0.0 110.316 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.1 m -152.32 175.37 12.74 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.801 1.641 . . . . 0.0 111.243 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.84 169.86 8.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.68 1.192 . . . . 0.0 108.915 157.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 132.37 36.35 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.688 1.995 . . . . 0.0 108.126 170.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.0 mtt -131.68 127.64 37.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.05 1.34 . . . . 0.0 110.15 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 126.117 1.767 . . . . 0.0 110.788 -179.476 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.14 -17.46 64.49 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.95 2.13 32.04 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.397 1.479 . . . . 0.0 113.381 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 t -61.08 -57.7 11.45 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.412 1.085 . . . . 0.0 110.202 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.16 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.958 0.903 . . . . 0.0 111.856 176.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.36 -57.62 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.499 1.519 . . . . 0.0 111.767 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -56.94 -41.07 77.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.375 1.07 . . . . 0.0 112.308 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -62.05 -40.87 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.163 -0.922 . . . . 0.0 113.124 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.02 -60.01 3.96 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.808 1.185 . . . . 0.0 109.982 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -52.99 -50.66 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.755 1.622 . . . . 0.0 111.567 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.88 81.68 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.55 -44.24 96.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.317 0.962 . . . . 0.0 111.574 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB3' HD11 ' A' ' 28' ' ' ILE . 94.8 m -58.68 -48.68 80.26 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.913 0.885 . . . . 0.0 111.91 173.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -55.66 -50.64 69.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.253 0.621 . . . . 0.0 112.129 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -64.7 -37.22 86.84 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.119 1.368 . . . . 0.0 113.232 -176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -70.09 -42.53 72.6 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.349 -0.844 . . . . 0.0 112.408 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.9 96.24 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.593 1.088 . . . . 0.0 112.8 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -66.06 -34.44 78.08 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -78.15 -37.57 45.66 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.773 1.229 . . . . 0.0 111.537 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -79.27 -3.22 44.96 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 170.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 57.84 25.97 12.67 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.831 2.052 . . . . 0.0 112.709 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.88 22.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.119 1.768 . . . . 0.0 112.313 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 48.53 26.67 1.23 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.87 2.068 . . . . 0.0 115.081 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -149.79 168.63 23.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.97 2.508 . . . . 0.0 111.244 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.416 HD11 ' HB3' ' A' ' 16' ' ' CYS . 69.4 mt -128.67 153.95 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.936 2.094 . . . . 0.0 108.224 167.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -99.84 -62.47 1.23 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.593 1.157 . . . . 0.0 109.306 161.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -149.5 170.31 18.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.755 1.222 . . . . 0.0 113.647 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.46 110.78 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.799 2.44 . . . . 0.0 108.552 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -86.61 120.77 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.251 1.821 . . . . 0.0 110.184 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.62 132.67 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.473 1.509 . . . . 0.0 110.068 -172.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 126.61 8.93 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 111.888 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.6 mt -128.9 119.75 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.384 1.474 . . . . 0.0 109.72 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.6 141.07 43.53 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.805 0.717 . . . . 0.0 112.615 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.01 -12.08 61.36 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.328 -1.101 . . . . 0.0 113.624 -173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -110.03 7.63 23.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.579 1.952 . . . . 0.0 113.963 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.1 p -61.06 -25.74 67.15 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.09 10.64 0.85 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.709 2.404 . . . . 0.0 115.107 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.7 mtm -84.28 141.42 30.97 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.051 0.94 . . . . 0.0 111.077 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -75.08 100.49 4.23 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.123 0.969 . . . . 0.0 111.501 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -56.78 -38.05 71.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.865 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -67.82 -40.72 83.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.163 1.385 . . . . 0.0 111.288 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.18 -48.73 79.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.808 0.843 . . . . 0.0 110.538 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.38 -50.35 73.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.28 0.946 . . . . 0.0 113.139 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.22 -40.01 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 t -62.85 -30.39 71.47 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.11 61.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.549 1.14 . . . . 0.0 111.113 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -54.35 -47.81 72.15 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.522 0.729 . . . . 0.0 112.301 172.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.18 -40.97 95.91 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.978 1.311 . . . . 0.0 112.66 175.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 111.659 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -83.65 2.97 34.97 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -51.1 -31.59 19.71 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.782 1.174 . . . . 0.0 113.353 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.2 -19.23 53.3 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.421 1.888 . . . . 0.0 114.177 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.15 -24.65 64.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.805 1.242 . . . . 0.0 113.56 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -139.18 119.21 13.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.183 1.393 . . . . 0.0 111.979 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.97 -28.51 57.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.797 1.239 . . . . 0.0 113.904 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.94 -20.26 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.496 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.14 -18.91 26.23 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.768 1.627 . . . . 0.0 113.855 -177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -63.83 -11.18 24.95 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -134.13 74.16 1.53 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.864 2.065 . . . . 0.0 110.137 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.04 170.47 18.3 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.887 1.675 . . . . 0.0 112.583 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.79 149.24 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 127.086 2.155 . . . . 0.0 109.455 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -113.5 103.9 11.73 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.238 1.415 . . . . 0.0 109.885 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.92 91.07 8.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.979 1.712 . . . . 0.0 111.49 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.0 101.38 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.053 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.7 t -78.97 116.53 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.25 1.82 . . . . 0.0 110.206 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -74.91 105.09 5.77 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.585 1.154 . . . . 0.0 110.264 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.77 149.48 24.82 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.188 0.995 . . . . 0.0 112.662 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -66.11 163.96 16.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.605 1.162 . . . . 0.0 111.273 167.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.5 t -130.17 142.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.528 1.531 . . . . 0.0 109.813 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -142.66 141.5 31.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.188 0.995 . . . . 0.0 111.871 -175.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.2 mt -115.14 103.98 11.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.076 2.15 . . . . 0.0 110.77 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.63 151.17 29.15 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.641 -0.662 . . . . 0.0 112.239 167.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.7 t -79.01 153.95 29.87 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.758 0.79 . . . . 0.0 111.436 166.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -62.43 -62.63 1.62 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.754 2.022 . . . . 0.0 114.422 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -128.71 58.09 1.59 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.765 1.626 . . . . 0.0 111.256 -169.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.3 -156.07 0.65 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.895 2.078 . . . . 0.0 111.425 -164.305 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -148.5 30.41 0.83 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.812 1.245 . . . . 0.0 112.47 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -144.13 149.39 36.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.847 1.259 . . . . 0.0 112.676 -172.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.45 152.73 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 126.499 1.92 . . . . 0.0 110.689 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -144.17 -179.96 6.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.251 1.421 . . . . 0.0 112.067 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 144.93 29.68 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 124.637 1.175 . . . . 0.0 112.305 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.08 121.39 8.01 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.175 2.583 . . . . 0.0 113.102 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 125.402 1.481 . . . . 0.0 111.691 175.53 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.364 0 N-CA-C 114.833 0.693 . . . . 0.0 114.833 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -65.06 156.4 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.147 1.779 . . . . 0.0 112.683 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.1 t -67.8 144.77 55.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.705 1.202 . . . . 0.0 111.372 173.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -63.73 -41.85 97.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.647 0.779 . . . . 0.0 111.845 -175.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -74.39 -57.12 4.15 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.488 1.115 . . . . 0.0 112.261 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.7 p -114.76 120.38 39.86 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.878 1.671 . . . . 0.0 111.749 -172.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -71.8 55.94 0.28 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.673 2.389 . . . . 0.0 114.457 -171.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 156.15 47.0 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.662 1.985 . . . . 0.0 110.565 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 28.44 6.6 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.306 1.842 . . . . 0.0 112.772 -175.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -66.73 -2.03 4.51 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.709 2.404 . . . . 0.0 115.506 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.31 154.7 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.02 1.728 . . . . 0.0 113.78 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.15 153.33 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.098 1.359 . . . . 0.0 113.375 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.0 mp -75.74 107.42 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.055 1.742 . . . . 0.0 109.173 -177.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.5 t -98.36 -6.42 30.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.539 1.136 . . . . 0.0 112.737 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -154.81 127.45 8.02 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 126.719 2.008 . . . . 0.0 107.925 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.84 17.99 79.3 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 123.467 0.556 . . . . 0.0 114.121 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -56.85 -40.83 76.83 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.477 1.911 . . . . 0.0 111.561 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -140.17 164.98 28.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.971 1.708 . . . . 0.0 111.643 172.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -74.18 148.34 41.74 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.343 1.057 . . . . 0.0 111.12 165.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -143.96 164.17 31.35 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.793 2.037 . . . . 0.0 111.027 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.67 154.98 34.89 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.595 -0.691 . . . . 0.0 110.948 158.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -119.89 -53.96 2.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.642 1.177 . . . . 0.0 111.123 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -162.61 173.62 13.68 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.351 1.46 . . . . 0.0 112.101 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -121.83 165.58 15.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.928 1.291 . . . . 0.0 109.076 165.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.37 151.29 51.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.094 1.757 . . . . 0.0 110.297 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.4 mtt -126.41 158.19 36.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.073 1.749 . . . . 0.0 110.899 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 125.746 1.618 . . . . 0.0 109.749 -179.398 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.1 -22.85 61.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.881 1.272 . . . . 0.0 114.309 171.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -103.31 -0.99 29.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.011 1.725 . . . . 0.0 113.469 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.8 t -61.1 -51.84 67.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.866 0.866 . . . . 0.0 110.682 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -47.16 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.084 0.953 . . . . 0.0 111.745 176.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -54.71 -59.58 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.612 1.565 . . . . 0.0 111.575 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.7 t -57.07 -43.35 82.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.958 1.303 . . . . 0.0 111.742 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -61.96 -41.47 98.02 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.428 0.691 . . . . 0.0 112.5 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.67 -43.51 96.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.066 0.848 . . . . 0.0 112.176 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.08 -50.22 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.727 1.211 . . . . 0.0 110.245 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.18 77.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.966 0.906 . . . . 0.0 112.774 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.95 -46.37 89.61 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.205 1.402 . . . . 0.0 112.107 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -56.48 -45.86 80.72 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.012 0.824 . . . . 0.0 111.891 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -58.45 -52.47 65.47 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.58 0.752 . . . . 0.0 112.26 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 65.4 mm-40 -57.16 -51.93 67.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.773 1.229 . . . . 0.0 112.766 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -62.97 -39.27 94.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.512 -0.743 . . . . 0.0 111.717 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.47 83.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.984 0.811 . . . . 0.0 112.391 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 18' ' ' GLU . 24.4 pttt -70.92 -31.28 67.85 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.528 1.058 . . . . 0.0 113.552 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -73.06 -37.11 66.95 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.072 0.949 . . . . 0.0 111.212 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -82.77 -5.03 58.72 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.484 1.514 . . . . 0.0 112.983 171.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 58.8 24.57 12.49 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.145 2.178 . . . . 0.0 113.002 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.69 58.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.165 1.786 . . . . 0.0 112.077 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 51.31 19.12 0.71 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 127.212 2.205 . . . . 0.0 115.542 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -153.15 167.08 30.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 129.062 2.945 . . . . 0.0 109.933 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.1 mm -116.92 166.29 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 126.503 1.921 . . . . 0.0 108.859 168.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -111.53 -66.69 1.06 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.177 1.391 . . . . 0.0 109.424 161.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -139.61 158.92 43.3 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.736 1.614 . . . . 0.0 112.084 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.66 110.69 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 127.079 2.152 . . . . 0.0 110.515 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.5 t -86.26 126.24 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.273 1.829 . . . . 0.0 110.051 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.0 t -133.64 124.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.649 1.579 . . . . 0.0 109.99 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.89 6.51 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 125.047 1.308 . . . . 0.0 111.054 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.01 118.33 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.198 1.399 . . . . 0.0 108.567 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.04 152.04 51.24 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.69 0.662 . . . . 0.0 113.234 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.36 -1.23 28.96 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.443 -1.033 . . . . 0.0 112.917 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -129.93 8.53 5.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.053 2.141 . . . . 0.0 113.592 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -68.89 -16.95 63.9 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.71 3.53 0.21 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.361 2.664 . . . . 0.0 117.363 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -72.56 153.48 41.27 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.676 1.19 . . . . 0.0 111.483 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -79.81 97.26 6.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.14 0.976 . . . . 0.0 110.701 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -57.25 -39.36 75.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.398 . . . . 0.0 112.949 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -61.53 -43.94 97.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.678 1.991 . . . . 0.0 112.116 172.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.0 -41.24 99.53 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.959 0.903 . . . . 0.0 111.523 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.22 -54.34 47.92 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.583 1.083 . . . . 0.0 112.535 176.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.52 -41.87 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 t -60.73 -33.67 73.26 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.83 60.8 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.216 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -52.14 -55.13 22.85 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.108 0.963 . . . . 0.0 111.678 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.02 -36.98 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.126 1.77 . . . . 0.0 113.265 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 m -64.47 -57.98 7.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.366 1.066 . . . . 0.0 111.552 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -79.77 -6.55 57.51 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -47.67 -36.64 11.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.841 2.456 . . . . 0.0 113.487 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.7 -11.74 19.25 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.32 -22.88 65.3 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -137.15 123.19 20.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.866 1.267 . . . . 0.0 112.263 -175.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.89 -35.03 73.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.165 0.986 . . . . 0.0 112.846 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.61 -23.04 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.377 1.071 . . . . 0.0 113.022 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 m -82.68 -27.33 31.33 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.95 1.7 . . . . 0.0 113.34 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -65.51 -2.68 3.56 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.373 1.469 . . . . 0.0 114.834 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -126.51 79.99 1.9 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.307 1.843 . . . . 0.0 109.678 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.03 164.36 35.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.603 1.561 . . . . 0.0 112.102 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.1 mt -136.74 134.89 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.189 1.796 . . . . 0.0 109.367 172.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.18 102.9 14.77 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.074 1.35 . . . . 0.0 110.816 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -78.49 91.76 4.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.607 1.163 . . . . 0.0 111.204 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.41 100.62 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 124.98 1.312 . . . . 0.0 110.005 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.08 125.2 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.171 1.789 . . . . 0.0 110.095 171.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -69.31 100.29 1.31 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 109.945 166.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 150.78 25.36 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.044 0.938 . . . . 0.0 111.214 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 166.05 22.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.649 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -132.68 137.77 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.458 1.503 . . . . 0.0 110.603 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -143.45 153.65 42.87 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.922 1.289 . . . . 0.0 111.283 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.3 mt -122.31 106.11 10.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.755 2.422 . . . . 0.0 111.396 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.61 154.28 27.51 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.455 166.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.3 t -79.12 159.38 27.49 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.872 0.869 . . . . 0.0 111.827 165.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.96 -69.42 0.28 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.629 1.972 . . . . 0.0 113.885 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -121.83 60.83 0.96 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.154 1.781 . . . . 0.0 110.929 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.452 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -147.05 -159.98 1.1 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.719 2.408 . . . . 0.0 110.412 -165.568 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.0 p -146.04 23.41 1.36 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.738 1.215 . . . . 0.0 113.928 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -131.39 149.87 52.37 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.697 1.599 . . . . 0.0 112.401 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.1 m -137.0 151.51 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.095 1.758 . . . . 0.0 111.204 172.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -143.76 175.69 9.8 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.267 1.427 . . . . 0.0 112.095 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 142.54 24.82 Favored Pre-proline 0 N--CA 1.478 0.973 0 O-C-N 120.723 -1.236 . . . . 0.0 112.502 -177.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.65 172.2 14.85 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.408 2.739 . . . . 0.0 114.002 -172.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 N--CA 1.48 1.05 0 C-N-CA 131.004 3.721 . . . . 0.0 113.696 177.806 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.608 0 N-CA-C 114.82 0.688 . . . . 0.0 114.82 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.88 163.05 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.447 1.499 . . . . 0.0 111.837 167.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.1 141.85 58.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 122.064 0.935 . . . . 0.0 110.713 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.86 -39.09 93.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.542 0.737 . . . . 0.0 111.828 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -77.76 -57.77 3.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.885 1.274 . . . . 0.0 112.524 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -113.16 125.33 54.23 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.339 1.456 . . . . 0.0 111.82 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -79.29 60.91 3.23 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.308 -1.495 . . . . 0.0 113.95 -166.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.0 m -139.03 154.87 48.28 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.103 2.161 . . . . 0.0 110.613 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.29 19.01 16.22 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.844 1.658 . . . . 0.0 113.211 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -68.94 -1.83 8.3 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.931 2.492 . . . . 0.0 115.861 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -55.83 150.39 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.519 1.528 . . . . 0.0 113.446 -175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.08 156.87 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.614 1.566 . . . . 0.0 112.516 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -68.17 106.54 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.971 1.308 . . . . 0.0 109.54 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -87.7 -12.51 45.14 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 121.653 0.739 . . . . 0.0 112.431 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -160.31 125.63 3.94 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.816 2.046 . . . . 0.0 107.765 -168.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.25 18.24 61.1 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 114.938 0.735 . . . . 0.0 114.938 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.87 -35.76 75.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.984 1.314 . . . . 0.0 113.004 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -142.22 164.53 29.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.89 1.676 . . . . 0.0 110.954 173.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -69.29 155.21 40.8 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.981 0.912 . . . . 0.0 111.322 164.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -151.4 160.81 43.57 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.307 1.443 . . . . 0.0 112.191 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -68.82 150.98 47.21 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.766 -0.584 . . . . 0.0 110.703 157.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.4 mt -116.66 -51.76 2.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.924 1.29 . . . . 0.0 111.56 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -161.86 169.13 21.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.132 1.373 . . . . 0.0 111.34 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.22 166.52 13.87 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.853 1.261 . . . . 0.0 110.899 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -133.33 148.95 51.91 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.658 1.583 . . . . 0.0 110.685 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 mtt -137.32 128.47 27.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.193 2.197 . . . . 0.0 109.73 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.2 mt . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 125.996 1.718 . . . . 0.0 111.607 -178.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.62 -43.52 84.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.659 1.183 . . . . 0.0 112.657 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -86.14 -1.66 57.62 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.1 t -62.9 -55.44 26.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.915 0.78 . . . . 0.0 111.153 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.12 -41.11 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.756 0.822 . . . . 0.0 112.266 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 50' ' ' PHE . 72.1 t -57.78 -65.59 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.731 2.013 . . . . 0.0 111.701 176.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.0 t -53.43 -43.08 67.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.329 1.051 . . . . 0.0 112.179 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t -59.26 -51.94 67.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.456 1.102 . . . . 0.0 112.3 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.5 -51.72 68.64 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.309 1.044 . . . . 0.0 112.264 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -54.62 -47.67 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.914 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.12 85.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.791 0.836 . . . . 0.0 113.085 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.93 -48.78 80.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.308 1.443 . . . . 0.0 112.156 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -62.85 -41.02 99.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.573 1.149 . . . . 0.0 112.408 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.98 -47.36 85.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.918 0.781 . . . . 0.0 111.976 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.25 -43.2 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.798 0.839 . . . . 0.0 112.695 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -62.68 -42.77 99.8 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.173 -0.955 . . . . 0.0 112.259 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.15 95.29 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.907 0.776 . . . . 0.0 112.664 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -66.6 -32.5 73.88 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.371 0.987 . . . . 0.0 113.076 172.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -74.38 -40.85 61.81 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.541 1.136 . . . . 0.0 111.587 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.71 -8.01 56.44 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.428 1.491 . . . . 0.0 112.85 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 57.75 28.82 16.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.828 2.051 . . . . 0.0 112.352 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.49 -36.56 71.16 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.441 1.496 . . . . 0.0 112.236 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.7 m80 54.71 10.99 0.4 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.215 2.206 . . . . 0.0 115.652 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -162.36 178.47 8.63 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.695 2.798 . . . . 0.0 110.937 168.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.1 mt -118.8 163.48 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 126.581 1.952 . . . . 0.0 108.554 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -105.24 -62.47 1.34 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.421 1.088 . . . . 0.0 109.559 162.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -155.74 111.99 3.12 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.657 1.183 . . . . 0.0 111.585 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m -74.65 142.02 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.731 -0.606 . . . . 0.0 109.637 166.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -124.84 125.78 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.52 1.528 . . . . 0.0 108.805 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.4 142.54 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.022 1.329 . . . . 0.0 110.69 -169.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.28 130.78 10.36 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.458 1.504 . . . . 0.0 111.793 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mt -123.14 119.9 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.104 1.362 . . . . 0.0 108.825 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.92 142.08 47.89 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.717 0.675 . . . . 0.0 112.804 -176.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.3 -3.29 19.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.306 1.042 . . . . 0.0 113.603 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -123.6 10.51 9.09 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.461 2.304 . . . . 0.0 113.692 170.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -66.68 -15.92 63.85 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.78 0.28 0.24 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 128.38 2.672 . . . . 0.0 116.747 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.3 ptp -77.1 152.96 34.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.849 1.204 . . . . 0.0 111.875 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -85.8 101.78 13.11 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.45 1.1 . . . . 0.0 110.889 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -51.0 -38.61 52.32 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.185 1.394 . . . . 0.0 113.655 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.3 t -63.25 -48.12 79.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.795 1.638 . . . . 0.0 112.291 174.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.58 -44.42 96.25 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.962 0.905 . . . . 0.0 111.517 175.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.02 -57.34 12.99 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.329 1.052 . . . . 0.0 112.804 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.2 -44.98 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.482 1.037 . . . . 0.0 113.704 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.7 p -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.94 66.99 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.14 0.976 . . . . 0.0 112.068 168.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HA ' HG13 ' A' ' 9' ' ' VAL . 61.0 t80 -54.35 -47.7 72.27 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.918 0.887 . . . . 0.0 112.506 171.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -63.35 -40.12 96.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.733 0.813 . . . . 0.0 112.584 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -59.4 -46.89 87.42 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.028 -1.045 . . . . 0.0 111.826 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -82.21 -0.43 45.16 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -57.48 -27.86 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 120.174 1.352 . . . . 0.0 113.394 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.83 -19.49 6.6 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.881 2.073 . . . . 0.0 114.332 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.85 -33.3 74.97 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.355 1.462 . . . . 0.0 113.43 174.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -140.04 125.29 18.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.565 1.146 . . . . 0.0 112.405 -167.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -35.33 69.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.226 1.01 . . . . 0.0 112.774 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 m -64.52 -27.02 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.695 1.198 . . . . 0.0 113.237 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.53 -27.79 23.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.693 1.597 . . . . 0.0 112.472 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.58 -12.26 59.99 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.292 1.437 . . . . 0.0 113.285 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -131.03 62.81 1.61 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.839 2.055 . . . . 0.0 110.219 172.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.24 170.95 14.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.954 1.701 . . . . 0.0 112.481 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.7 mt -135.75 147.64 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 127.302 2.241 . . . . 0.0 108.479 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 tp -120.92 107.5 12.76 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.606 1.562 . . . . 0.0 110.594 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -96.57 103.07 14.96 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.506 1.922 . . . . 0.0 112.771 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -82.2 122.15 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.025 0.93 . . . . 0.0 111.65 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.7 t -95.05 132.62 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 127.533 2.333 . . . . 0.0 109.636 166.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -75.2 101.87 4.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.278 1.031 . . . . 0.0 110.425 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.95 144.0 32.19 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.53 1.132 . . . . 0.0 112.188 -175.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 160.62 30.1 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.805 1.242 . . . . 0.0 111.722 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.92 143.42 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 110.836 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -145.46 144.59 30.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.573 1.149 . . . . 0.0 111.577 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.8 103.92 10.45 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.372 2.269 . . . . 0.0 110.502 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -82.65 152.17 25.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.008 0.923 . . . . 0.0 112.708 170.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.428 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 6.8 t -76.46 156.66 32.88 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.803 0.811 . . . . 0.0 111.718 165.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -62.14 -62.13 1.99 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.686 1.994 . . . . 0.0 114.62 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -129.67 56.2 1.73 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.566 1.546 . . . . 0.0 111.403 -167.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -145.22 -159.23 0.98 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.768 2.027 . . . . 0.0 111.444 -162.024 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -144.32 18.22 1.72 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.825 1.25 . . . . 0.0 114.356 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -128.86 149.18 50.87 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.631 1.573 . . . . 0.0 112.343 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -137.77 152.2 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.452 1.901 . . . . 0.0 110.232 172.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -140.16 179.82 6.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.572 1.149 . . . . 0.0 113.146 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.3 144.08 27.28 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.252 1.421 . . . . 0.0 111.706 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -69.46 178.15 4.67 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.749 2.966 . . . . 0.0 114.167 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.004 0 C-N-CA 129.271 3.029 . . . . 0.0 114.197 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.655 0 N-CA-C 116.564 1.386 . . . . 0.0 116.564 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -72.04 163.24 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.74 1.27 . . . . 0.0 112.513 169.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 t -61.78 129.24 40.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.348 1.071 . . . . 0.0 110.443 165.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -65.38 -22.63 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.914 0.886 . . . . 0.0 112.619 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -83.99 -53.67 5.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.184 171.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.26 110.04 14.71 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.367 1.867 . . . . 0.0 111.201 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -64.09 58.89 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.417 2.687 . . . . 0.0 116.197 -171.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.5 m -139.3 163.26 32.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.807 2.843 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -106.47 25.18 11.45 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.719 1.607 . . . . 0.0 112.894 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -68.56 -2.74 9.58 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.535 2.334 . . . . 0.0 115.721 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 m -54.38 153.48 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.096 1.758 . . . . 0.0 114.313 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.05 155.2 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.027 1.731 . . . . 0.0 111.956 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.96 109.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.625 1.17 . . . . 0.0 108.492 -175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 t -89.87 -9.54 48.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.393 1.077 . . . . 0.0 112.893 -177.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -158.81 127.6 5.38 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.874 2.07 . . . . 0.0 107.994 -169.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.36 16.9 78.83 Favored Glycine 0 CA--C 1.538 1.48 0 N-CA-C 115.666 1.026 . . . . 0.0 115.666 174.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -64.11 -30.12 71.21 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.558 1.143 . . . . 0.0 112.753 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -144.98 171.71 14.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.068 2.147 . . . . 0.0 111.34 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.01 165.94 22.4 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -154.87 147.65 24.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.515 1.926 . . . . 0.0 111.291 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -70.48 153.56 42.81 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.384 -0.822 . . . . 0.0 111.293 163.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mp -114.43 -56.6 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.746 1.618 . . . . 0.0 110.904 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -159.43 168.98 24.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.957 1.303 . . . . 0.0 111.646 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.6 mt -125.78 110.99 14.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.638 1.575 . . . . 0.0 109.443 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -78.65 132.13 36.94 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.642 -0.661 . . . . 0.0 109.403 170.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.0 mtt -120.68 147.65 44.99 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.393 1.477 . . . . 0.0 111.028 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 124.116 0.966 . . . . 0.0 112.176 176.426 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.06 -37.12 76.29 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.289 -1.507 . . . . 0.0 112.836 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -81.3 4.01 22.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.389 1.476 . . . . 0.0 114.298 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 p -54.26 -58.22 8.23 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.548 1.139 . . . . 0.0 112.207 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.89 -47.31 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.196 0.999 . . . . 0.0 110.958 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.13 -61.77 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 124.814 1.246 . . . . 0.0 110.701 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 t -57.86 -42.6 84.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.003 1.321 . . . . 0.0 111.855 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.4 t -60.9 -51.11 70.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.883 0.873 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.11 -45.27 94.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.817 0.847 . . . . 0.0 111.753 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.76 -43.29 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.203 1.001 . . . . 0.0 111.861 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.84 -44.98 82.64 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.656 0.782 . . . . 0.0 112.079 172.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.67 -40.82 98.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.135 0.974 . . . . 0.0 112.502 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -55.12 -54.17 46.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.039 1.291 . . . . 0.0 111.724 171.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.36 -49.87 68.8 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.004 1.322 . . . . 0.0 112.045 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -61.96 -51.59 67.46 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.058 1.343 . . . . 0.0 113.041 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -59.35 -42.68 92.11 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.24 -0.913 . . . . 0.0 112.087 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.01 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.48 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -65.78 -31.57 72.62 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.704 1.138 . . . . 0.0 112.889 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -69.03 -42.75 75.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.779 1.232 . . . . 0.0 110.601 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -82.75 -0.38 47.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.282 1.433 . . . . 0.0 113.509 175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.85 30.25 13.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.856 2.062 . . . . 0.0 112.782 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.36 -39.39 32.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.636 1.574 . . . . 0.0 112.642 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 55.84 10.33 0.54 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.455 2.302 . . . . 0.0 116.209 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -163.42 173.12 13.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 129.535 3.134 . . . . 0.0 109.808 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.94 166.24 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.844 1.657 . . . . 0.0 109.39 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -108.4 -63.08 1.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.972 -1.08 . . . . 0.0 109.387 163.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -151.78 105.71 3.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.308 1.043 . . . . 0.0 112.561 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.79 143.97 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.961 0.904 . . . . 0.0 109.098 162.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.43 125.11 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.494 1.517 . . . . 0.0 108.582 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.85 144.33 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.333 1.453 . . . . 0.0 110.475 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.33 128.75 9.63 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.173 1.368 . . . . 0.0 111.408 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -127.83 127.52 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.845 1.258 . . . . 0.0 108.433 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.9 143.69 48.87 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.229 0.919 . . . . 0.0 113.126 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.89 -13.28 62.02 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.428 -1.042 . . . . 0.0 113.104 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -113.43 4.46 16.29 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.328 1.851 . . . . 0.0 114.147 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -19.5 65.89 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.55 16.08 2.38 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.495 2.318 . . . . 0.0 115.553 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.2 mtt -73.03 141.07 47.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.5 1.52 . . . . 0.0 111.385 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.11 95.23 3.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.101 0.961 . . . . 0.0 110.696 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -52.83 -37.26 59.81 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.508 1.123 . . . . 0.0 113.5 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.92 -40.35 97.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.838 1.655 . . . . 0.0 112.6 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.47 -49.81 72.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.847 0.859 . . . . 0.0 110.093 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.6 -41.41 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 176.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.4 t -61.6 -32.32 72.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.98 57.25 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.034 0.934 . . . . 0.0 111.575 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -52.9 -48.56 67.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.364 1.066 . . . . 0.0 112.327 173.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.3 -46.26 91.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.826 1.25 . . . . 0.0 112.177 174.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -55.2 -38.43 68.38 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.065 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.25 3.21 44.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.242 1.417 . . . . 0.0 114.217 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -55.29 -29.54 58.39 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.431 1.469 . . . . 0.0 113.987 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.78 -16.97 61.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.984 1.714 . . . . 0.0 114.37 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -83.83 -7.01 59.55 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -130.72 172.1 12.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.447 2.299 . . . . 0.0 110.256 173.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.56 -55.91 3.66 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.113 -0.992 . . . . 0.0 110.332 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 m -69.67 -22.27 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.193 1.797 . . . . 0.0 112.266 -170.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.58 -17.02 56.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.424 1.09 . . . . 0.0 112.215 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -28.43 69.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.952 0.797 . . . . 0.0 112.558 173.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -114.74 81.49 1.57 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.665 1.586 . . . . 0.0 109.706 172.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.43 166.56 27.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.18 1.792 . . . . 0.0 112.338 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mm -137.42 154.74 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 128.337 2.655 . . . . 0.0 107.518 168.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 tt -130.24 127.34 39.41 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.221 1.409 . . . . 0.0 110.783 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -117.46 110.17 17.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.24 1.816 . . . . 0.0 112.185 -171.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.24 103.41 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.324 1.05 . . . . 0.0 111.594 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.68 124.65 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.616 1.966 . . . . 0.0 110.419 166.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.55 100.28 4.52 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.339 1.455 . . . . 0.0 110.959 171.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.53 136.78 36.98 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.178 -0.951 . . . . 0.0 112.325 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 164.62 14.39 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.177 1.391 . . . . 0.0 111.713 169.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.73 150.03 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.643 1.577 . . . . 0.0 112.383 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.29 144.67 27.76 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.208 1.003 . . . . 0.0 111.657 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.54 110.25 16.67 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.116 2.166 . . . . 0.0 110.461 -172.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -93.35 153.49 18.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.722 0.809 . . . . 0.0 112.314 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 7.7 t -74.81 155.98 37.0 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.847 0.832 . . . . 0.0 111.616 166.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.95 -67.01 0.41 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 114.654 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -127.04 58.41 1.44 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.697 1.599 . . . . 0.0 110.82 -170.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.451 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -144.04 -157.56 0.8 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.487 1.915 . . . . 0.0 111.238 -163.149 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 t -135.48 -2.96 2.41 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -110.4 155.5 22.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.223 1.409 . . . . 0.0 114.155 -172.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 t -144.31 135.92 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 128.172 2.589 . . . . 0.0 109.431 -178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -136.49 177.69 7.65 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.058 1.343 . . . . 0.0 113.246 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 143.58 26.35 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 0.0 112.741 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -71.82 -177.15 2.37 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.63 2.887 . . . . 0.0 113.639 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 129.274 3.03 . . . . 0.0 114.291 -176.888 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.729 0 N-CA-C 116.41 1.324 . . . . 0.0 116.41 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.3 m -73.69 161.99 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 0.0 112.681 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.69 131.08 49.59 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.312 1.053 . . . . 0.0 110.513 163.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.1 -35.42 76.96 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.252 1.021 . . . . 0.0 111.79 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -78.23 -46.18 21.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.85 107.91 9.46 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.3 1.84 . . . . 0.0 111.33 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -64.57 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.006 2.522 . . . . 0.0 116.55 -169.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -137.59 156.36 48.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.637 2.775 . . . . 0.0 110.624 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -94.25 22.78 5.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.795 1.638 . . . . 0.0 113.693 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -68.4 -0.99 5.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.984 2.113 . . . . 0.0 116.055 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 20.3 m -54.94 153.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.809 1.644 . . . . 0.0 114.402 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.333 1.853 . . . . 0.0 112.569 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.43 108.11 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.239 1.416 . . . . 0.0 108.346 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -92.88 -9.04 41.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.327 1.051 . . . . 0.0 112.864 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -154.95 130.1 9.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.25 1.82 . . . . 0.0 108.099 -170.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.6 15.72 81.32 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.312 0.958 . . . . 0.0 115.235 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -71.41 -28.24 63.87 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.315 1.046 . . . . 0.0 112.8 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.88 168.84 21.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.661 1.984 . . . . 0.0 111.901 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -82.05 161.82 22.79 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.757 1.223 . . . . 0.0 113.915 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -158.25 155.64 29.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.457 1.903 . . . . 0.0 112.055 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -65.61 158.11 28.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.235 -0.916 . . . . 0.0 112.039 167.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.3 -60.49 1.41 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.018 1.327 . . . . 0.0 111.739 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.9 m -145.96 167.5 23.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.78 1.232 . . . . 0.0 112.748 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.7 104.57 5.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 108.939 168.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -76.33 142.54 41.22 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.621 0.769 . . . . 0.0 110.242 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.1 152.56 50.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.618 1.567 . . . . 0.0 110.849 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.546 0.815 0 C-N-CA 124.573 1.149 . . . . 0.0 112.359 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.616 -0.593 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 m -133.42 140.3 47.24 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.345 1.458 . . . . 0.0 111.555 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.7 mtt -78.72 40.99 0.4 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.957 1.703 . . . . 0.0 113.754 -176.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -57.06 -34.34 68.16 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.694 -1.254 . . . . 0.0 112.751 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.66 -21.31 60.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.023 1.329 . . . . 0.0 114.52 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.06 -2.81 23.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.237 1.415 . . . . 0.0 113.53 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.3 t -61.87 -54.19 45.48 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.929 0.892 . . . . 0.0 111.047 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 p -57.29 -43.27 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.571 1.148 . . . . 0.0 112.474 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.82 -66.29 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 127.684 2.394 . . . . 0.0 111.359 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.7 t -50.63 -44.4 57.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.166 1.386 . . . . 0.0 112.153 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -56.87 -56.68 18.5 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.294 1.037 . . . . 0.0 112.134 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.63 -47.84 81.11 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.89 -41.74 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.652 0.781 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.334 -0.853 . . . . 0.0 112.521 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.26 -47.01 86.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.627 1.171 . . . . 0.0 112.396 174.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.0 m -50.85 -53.09 35.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.888 0.875 . . . . 0.0 112.124 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.58 -45.18 92.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.369 1.068 . . . . 0.0 112.229 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -66.54 -35.65 80.76 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.015 1.326 . . . . 0.0 113.778 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -68.39 -44.2 75.61 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.019 -1.051 . . . . 0.0 111.994 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.87 84.87 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -67.26 -35.05 78.71 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.808 0.731 . . . . 0.0 112.814 171.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.3 -39.86 38.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.801 1.24 . . . . 0.0 111.216 -172.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -78.56 -3.71 45.07 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.249 1.42 . . . . 0.0 112.978 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 55.48 29.42 13.28 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.859 2.063 . . . . 0.0 112.46 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.28 -37.11 26.35 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.986 1.714 . . . . 0.0 111.886 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 49.89 22.64 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.94 2.096 . . . . 0.0 115.031 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -149.58 169.92 19.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.136 2.574 . . . . 0.0 110.625 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mm -119.48 171.56 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 127.561 2.344 . . . . 0.0 108.177 164.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -125.14 -51.48 1.66 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.797 1.639 . . . . 0.0 110.494 165.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -144.61 156.93 44.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.334 1.453 . . . . 0.0 110.766 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 m -126.36 148.06 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.393 1.077 . . . . 0.0 109.187 157.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -127.12 129.06 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.147 1.379 . . . . 0.0 108.742 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 p -127.51 156.46 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.992 1.317 . . . . 0.0 110.749 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.13 114.47 2.7 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 125.509 1.528 . . . . 0.0 110.305 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.7 mt -112.85 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.975 1.31 . . . . 0.0 109.068 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 141.99 42.23 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.247 0.927 . . . . 0.0 112.266 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -77.23 -1.01 27.37 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.619 -0.93 . . . . 0.0 112.952 -168.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -114.62 -1.25 13.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 128.308 2.643 . . . . 0.0 113.496 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.5 p -67.05 -20.15 65.79 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.37 9.96 0.84 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 127.92 2.488 . . . . 0.0 115.666 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.4 mtm -75.59 138.37 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.172 0.989 . . . . 0.0 111.614 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.66 108.18 9.49 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.937 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.15 -39.76 57.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.122 . . . . 0.0 113.119 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.3 t -60.19 -44.65 94.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.636 1.975 . . . . 0.0 112.738 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 tp -64.17 -48.77 74.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.072 0.949 . . . . 0.0 111.642 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.419 ' CE2' HD21 ' A' ' 65' ' ' LEU . 48.9 t80 -58.9 -52.81 64.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.639 0.775 . . . . 0.0 112.587 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.54 -42.41 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.341 0.973 . . . . 0.0 113.325 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -60.38 -34.48 73.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 117.949 0.341 . . . . 0.0 111.701 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.97 65.89 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.472 -0.767 . . . . 0.0 112.105 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -55.23 -47.73 74.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.859 1.264 . . . . 0.0 113.421 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -32.7 74.46 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.998 1.319 . . . . 0.0 112.823 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.7 m -67.37 -56.67 8.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.67 1.188 . . . . 0.0 111.581 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -73.86 -8.15 54.97 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -36.81 30.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.646 1.978 . . . . 0.0 112.646 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -63.49 -10.83 19.51 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.746 2.418 . . . . 0.0 115.348 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.61 -28.56 68.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.107 0.963 . . . . 0.0 113.163 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -138.72 129.54 26.45 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.887 1.275 . . . . 0.0 111.974 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -35.29 80.04 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.998 -1.064 . . . . 0.0 113.185 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.05 -24.79 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.191 1.396 . . . . 0.0 112.56 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.41 -28.47 37.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.796 1.638 . . . . 0.0 113.241 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -68.19 -27.3 66.28 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -168.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -89.62 73.48 7.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.116 1.367 . . . . 0.0 110.774 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.41 166.08 34.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.167 1.387 . . . . 0.0 112.387 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.6 mm -138.26 148.99 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.784 2.034 . . . . 0.0 109.022 165.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 46' ' ' PHE . 2.8 tp -109.25 118.85 37.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.784 2.034 . . . . 0.0 110.749 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.6 111.28 23.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.82 2.048 . . . . 0.0 112.172 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.93 107.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.489 1.116 . . . . 0.0 112.061 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.99 122.19 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.051 1.341 . . . . 0.0 110.133 164.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.11 106.69 4.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.982 1.313 . . . . 0.0 110.261 168.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -96.65 148.23 23.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.127 0.971 . . . . 0.0 112.717 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.87 179.43 7.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.417 1.487 . . . . 0.0 112.609 -176.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.6 t -112.41 140.34 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.572 1.549 . . . . 0.0 110.826 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.18 136.82 28.54 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.105 1.362 . . . . 0.0 112.254 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -111.29 113.01 25.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.007 2.123 . . . . 0.0 110.707 -174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.12 149.43 21.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.389 1.476 . . . . 0.0 111.407 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 4.4 t -96.33 139.79 31.94 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.009 0.924 . . . . 0.0 111.904 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -55.48 -70.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.993 2.517 . . . . 0.0 115.056 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -112.28 25.53 11.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.054 2.142 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 5.5 t -115.55 -146.32 0.4 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.719 2.808 . . . . 0.0 110.909 -160.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t -158.25 42.34 0.28 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.849 . . . . 0.0 112.493 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -146.48 156.57 43.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.8 t -146.61 134.35 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 127.801 2.441 . . . . 0.0 109.732 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -143.88 177.58 8.44 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.561 1.144 . . . . 0.0 113.844 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.93 143.3 25.89 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.135 1.774 . . . . 0.0 112.363 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -70.54 108.65 2.27 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.833 2.355 . . . . 0.0 111.285 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -136.21 -68.03 0.51 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.757 1.223 . . . . 0.0 112.495 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.84 165.4 24.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.014 0.926 . . . . 0.0 112.968 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.29 -63.38 0.76 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.426 1.49 . . . . 0.0 112.398 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.25 -44.16 97.18 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.218 1.007 . . . . 0.0 111.848 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -105.02 27.92 7.71 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.6 2.36 . . . . 0.0 112.051 175.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.9 23.66 2.07 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 127.313 2.387 . . . . 0.0 115.429 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 m -66.34 162.43 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.032 1.733 . . . . 0.0 112.428 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 147.53 53.31 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.22 1.01 . . . . 0.0 111.535 172.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.46 -44.59 86.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.049 0.94 . . . . 0.0 112.064 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -74.98 -56.33 4.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.3 p -113.72 123.21 49.33 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.211 1.404 . . . . 0.0 112.009 -172.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -79.59 67.97 5.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.248 -1.532 . . . . 0.0 113.41 -168.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.1 t -144.79 164.37 31.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.329 1.852 . . . . 0.0 110.966 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -104.77 21.63 16.59 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.52 1.928 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -65.74 -4.95 7.32 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.756 2.022 . . . . 0.0 115.229 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.79 152.51 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 126.067 1.747 . . . . 0.0 113.684 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.09 156.25 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.39 1.476 . . . . 0.0 112.735 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.4 mm -70.22 109.86 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.828 1.251 . . . . 0.0 109.276 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.9 t -94.08 -11.5 30.48 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.245 0.545 . . . . 0.0 112.01 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -160.18 129.66 5.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.135 2.174 . . . . 0.0 107.725 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.13 -32.33 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.612 1.101 . . . . 0.0 114.223 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.24 -23.55 26.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.371 1.069 . . . . 0.0 113.468 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.22 138.23 54.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.045 1.338 . . . . 0.0 112.181 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.36 155.06 23.72 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.258 1.423 . . . . 0.0 111.649 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -151.38 157.04 41.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 111.525 168.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -67.95 145.03 54.92 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.957 -0.464 . . . . 0.0 111.083 163.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -105.62 -55.52 2.31 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.077 1.351 . . . . 0.0 111.102 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 t -162.13 170.69 18.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.271 1.429 . . . . 0.0 111.323 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mt -128.97 163.0 26.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.37 1.468 . . . . 0.0 110.321 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -136.6 150.17 48.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 111.106 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.9 mtt -129.42 151.52 49.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.273 1.829 . . . . 0.0 111.206 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.9 tp -106.53 119.39 39.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.252 1.821 . . . . 0.0 109.109 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.24 65.18 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 125.268 1.427 . . . . 0.0 112.903 -170.362 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -140.94 165.58 27.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.425 1.49 . . . . 0.0 111.891 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 89.1 mtp -130.99 10.68 5.02 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.791 2.036 . . . . 0.0 112.827 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -58.45 -24.85 61.35 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -59.52 -22.66 61.96 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.751 -1.218 . . . . 0.0 113.99 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -91.31 5.16 50.34 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.731 1.613 . . . . 0.0 113.584 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -54.84 -55.85 25.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 111.518 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -56.6 -48.8 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.046 0.538 . . . . 0.0 110.931 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.19 -57.27 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 125.271 1.428 . . . . 0.0 111.591 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 t -57.9 -43.97 86.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.983 1.313 . . . . 0.0 111.844 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -64.39 -39.01 93.02 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -54.7 44.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.473 1.509 . . . . 0.0 110.164 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -55.13 -48.59 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.279 1.431 . . . . 0.0 111.62 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.73 86.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.34 1.056 . . . . 0.0 113.242 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.92 -50.77 72.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.563 1.145 . . . . 0.0 111.331 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.23 -47.39 75.42 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.902 0.881 . . . . 0.0 112.924 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.44 -54.69 37.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.758 1.223 . . . . 0.0 111.435 173.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.01 -48.28 82.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.603 1.161 . . . . 0.0 112.909 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -60.69 -42.27 96.83 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.449 -0.782 . . . . 0.0 111.76 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.14 78.02 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.672 -0.643 . . . . 0.0 112.701 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -66.25 -32.47 73.91 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.664 1.12 . . . . 0.0 112.82 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.42 -37.74 60.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.898 0.879 . . . . 0.0 111.501 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.49 -2.13 40.67 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.188 1.395 . . . . 0.0 112.938 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 56.17 27.31 11.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.907 2.083 . . . . 0.0 112.69 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.46 -34.87 41.15 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.583 1.553 . . . . 0.0 111.942 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.7 m80 55.68 9.84 0.46 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.442 2.297 . . . . 0.0 115.586 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -153.61 171.17 19.2 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 128.452 2.701 . . . . 0.0 110.558 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 mt -103.72 162.1 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.86 1.264 . . . . 0.0 108.601 166.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -99.85 -57.67 2.09 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.148 -0.97 . . . . 0.0 109.027 156.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -144.21 153.7 42.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.886 1.274 . . . . 0.0 112.632 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -123.31 147.25 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.519 1.927 . . . . 0.0 109.874 163.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.51 119.03 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.99 1.316 . . . . 0.0 109.711 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 p -107.43 141.71 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.426 1.491 . . . . 0.0 110.959 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -107.71 119.83 5.9 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 126.093 1.806 . . . . 0.0 110.748 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.5 122.9 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.842 1.257 . . . . 0.0 108.608 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.02 143.64 46.76 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 123.295 0.474 . . . . 0.0 112.499 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -68.9 -12.79 61.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.467 -1.019 . . . . 0.0 112.872 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -116.8 8.85 13.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.958 2.103 . . . . 0.0 114.081 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -66.02 -14.61 61.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.68 13.55 2.7 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.549 2.34 . . . . 0.0 115.873 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtt -76.18 173.4 11.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.612 1.565 . . . . 0.0 111.714 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -124.48 102.65 7.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.734 1.214 . . . . 0.0 111.275 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -56.56 -33.92 66.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.567 1.547 . . . . 0.0 114.198 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.1 t -65.62 -44.45 86.48 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.674 1.19 . . . . 0.0 110.918 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.42 -45.16 94.36 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.072 -0.393 . . . . 0.0 110.308 171.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -59.74 -54.32 47.66 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.492 0.495 . . . . 0.0 111.847 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.22 -42.45 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -61.4 -32.54 72.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.167 0.44 . . . . 0.0 111.814 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.49 62.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.227 1.011 . . . . 0.0 111.615 173.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -53.33 -50.24 65.4 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.73 0.695 . . . . 0.0 112.484 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.45 -34.54 77.98 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.377 1.071 . . . . 0.0 113.156 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.6 m -64.31 -50.24 68.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.316 -0.865 . . . . 0.0 111.474 171.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.55 -8.18 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.022 1.329 . . . . 0.0 114.347 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -54.45 -27.75 39.5 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.968 1.307 . . . . 0.0 113.729 -172.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.2 6.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.492 1.917 . . . . 0.0 114.063 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.35 -18.56 50.85 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.006 1.722 . . . . 0.0 114.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 t -147.04 134.82 21.19 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.3 -28.39 66.73 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.852 1.261 . . . . 0.0 113.331 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.26 -33.75 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.019 0.827 . . . . 0.0 111.83 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.5 m -81.19 -24.91 37.16 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.769 1.627 . . . . 0.0 113.177 -173.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -69.33 -10.55 58.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.589 1.556 . . . . 0.0 114.671 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -137.29 57.92 1.73 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.828 1.651 . . . . 0.0 111.174 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.07 17.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.532 1.533 . . . . 0.0 113.337 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.01 141.29 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.112 1.765 . . . . 0.0 110.479 174.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tp -113.19 107.71 16.28 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.963 1.705 . . . . 0.0 109.506 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.44 145.13 24.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.518 1.127 . . . . 0.0 111.957 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mm -103.72 146.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.571 1.548 . . . . 0.0 110.755 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.48 121.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.821 2.049 . . . . 0.0 109.155 166.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.22 99.73 1.96 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.155 0.982 . . . . 0.0 110.045 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.76 136.75 43.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.889 1.275 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.59 164.16 10.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.727 0.811 . . . . 0.0 111.211 170.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.28 159.98 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.804 1.241 . . . . 0.0 112.257 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -153.2 139.54 18.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.204 0.601 . . . . 0.0 112.493 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.7 mt -110.26 101.04 9.82 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 127.944 2.498 . . . . 0.0 111.125 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.43 146.25 28.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 170.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.82 150.04 25.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.062 1.345 . . . . 0.0 113.009 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.54 -59.52 5.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.351 1.861 . . . . 0.0 114.789 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.16 58.04 1.73 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.658 1.583 . . . . 0.0 111.178 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.74 -154.33 0.51 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.424 1.89 . . . . 0.0 111.144 -165.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 p -149.96 16.85 0.87 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.52 1.528 . . . . 0.0 113.294 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -136.07 150.52 49.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.242 1.817 . . . . 0.0 111.8 -171.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.13 151.93 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.995 1.718 . . . . 0.0 110.304 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.75 -175.88 4.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.674 1.59 . . . . 0.0 111.565 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -118.89 145.37 37.72 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.443 1.097 . . . . 0.0 112.082 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.61 111.61 1.93 Allowed 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.816 3.011 . . . . 0.0 112.278 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -145.56 -57.46 0.32 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.055 1.342 . . . . 0.0 112.137 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.87 166.78 14.87 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 124.138 0.975 . . . . 0.0 113.305 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.42 -69.49 0.69 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.682 1.593 . . . . 0.0 111.578 177.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.78 -23.44 66.72 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.717 1.207 . . . . 0.0 113.453 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -123.83 21.02 9.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.262 2.225 . . . . 0.0 112.668 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.01 22.15 1.25 Allowed Glycine 0 CA--C 1.541 1.66 0 C-N-CA 126.642 2.068 . . . . 0.0 115.787 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.65 167.08 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.547 1.939 . . . . 0.0 112.034 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.26 135.53 57.76 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.192 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.26 -39.82 88.13 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.394 1.077 . . . . 0.0 111.971 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -72.88 -60.92 2.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.805 1.242 . . . . 0.0 112.209 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.7 p -116.16 105.93 13.15 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.744 1.618 . . . . 0.0 111.375 -168.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.5 p-80 -61.48 64.76 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 128.331 2.652 . . . . 0.0 116.14 -171.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 m -145.19 159.6 42.75 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 128.172 2.589 . . . . 0.0 111.163 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -95.06 21.39 7.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.101 2.161 . . . . 0.0 113.425 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.59 -4.91 9.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.551 1.941 . . . . 0.0 115.791 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.57 157.59 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.838 1.655 . . . . 0.0 114.462 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.25 154.34 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.145 1.778 . . . . 0.0 112.128 176.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.45 108.26 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.948 1.299 . . . . 0.0 108.386 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.4 t -93.81 -4.43 50.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 113.018 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -158.05 127.31 5.78 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.426 1.89 . . . . 0.0 108.135 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.31 19.08 79.8 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 115.548 0.979 . . . . 0.0 115.548 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -65.41 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.498 1.119 . . . . 0.0 112.274 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -146.73 170.94 15.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.416 1.887 . . . . 0.0 111.91 175.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -71.45 165.66 23.35 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -155.87 161.71 40.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.668 2.387 . . . . 0.0 111.203 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -69.99 157.0 38.31 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.29 -0.881 . . . . 0.0 111.211 157.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.05 -52.82 2.29 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.566 1.146 . . . . 0.0 111.595 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.2 t -159.36 171.96 18.84 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 112.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -133.51 163.49 29.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.069 1.748 . . . . 0.0 110.423 165.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.13 147.97 39.33 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.454 1.502 . . . . 0.0 110.44 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -128.01 161.59 28.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.219 1.408 . . . . 0.0 111.065 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.38 67.43 0.33 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.612 1.965 . . . . 0.0 113.926 -175.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.39 -55.1 8.63 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.886 1.674 . . . . 0.0 113.191 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 124.633 1.173 . . . . 0.0 112.121 -178.238 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -142.39 171.71 13.69 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.471 1.508 . . . . 0.0 111.871 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.9 mmt -130.68 7.6 4.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.129 2.172 . . . . 0.0 112.413 174.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -63.8 -15.99 60.13 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.17 1.388 . . . . 0.0 114.229 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -38.39 5.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.598 2.359 . . . . 0.0 112.312 174.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.94 -3.45 25.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.792 1.237 . . . . 0.0 114.115 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.3 p -52.61 -54.06 38.3 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.354 1.862 . . . . 0.0 112.432 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.58 -51.07 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.582 0.753 . . . . 0.0 110.406 171.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.8 -60.52 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.472 1.109 . . . . 0.0 111.642 -168.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -40.07 76.36 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.757 1.223 . . . . 0.0 112.074 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -60.79 -39.2 87.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.784 -0.573 . . . . 0.0 112.06 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -52.15 66.21 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.144 1.378 . . . . 0.0 111.456 172.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.75 -50.72 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.453 0.701 . . . . 0.0 111.014 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.04 79.34 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.375 1.07 . . . . 0.0 112.887 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.85 -41.9 97.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.077 1.351 . . . . 0.0 112.107 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -50.35 73.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.419 1.487 . . . . 0.0 111.826 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.24 -48.32 79.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.564 1.146 . . . . 0.0 112.067 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.1 -46.76 87.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.29 1.036 . . . . 0.0 112.905 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -60.57 -42.03 95.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.247 -0.908 . . . . 0.0 111.978 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.97 89.86 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -67.13 -31.04 71.23 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.366 0.985 . . . . 0.0 113.08 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -72.59 -42.87 64.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -81.04 -1.32 43.57 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.663 1.185 . . . . 0.0 113.367 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 56.18 29.55 14.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.864 2.065 . . . . 0.0 112.798 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.99 -41.1 23.27 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.626 1.57 . . . . 0.0 112.51 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 54.2 2.1 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.366 2.667 . . . . 0.0 117.339 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -143.03 161.87 36.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.312 2.645 . . . . 0.0 109.762 165.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mm -112.81 168.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.507 1.523 . . . . 0.0 110.127 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -122.73 -53.23 1.88 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.715 1.606 . . . . 0.0 111.173 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -158.4 108.81 2.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.228 1.011 . . . . 0.0 112.85 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.23 138.13 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.72 125.71 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.297 1.439 . . . . 0.0 109.613 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.0 136.89 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.584 1.554 . . . . 0.0 109.945 -169.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.88 107.12 2.92 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.635 1.588 . . . . 0.0 111.54 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mt -109.67 129.27 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.859 1.264 . . . . 0.0 108.36 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.24 46.88 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.989 -0.444 . . . . 0.0 112.582 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.13 -9.09 51.07 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.247 -1.149 . . . . 0.0 113.139 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -117.59 10.41 13.44 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.05 2.14 . . . . 0.0 114.088 170.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -68.42 -4.62 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.51 24.15 8.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.876 2.07 . . . . 0.0 115.556 171.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ptp -119.42 129.97 55.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.792 1.637 . . . . 0.0 111.602 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -73.99 111.0 8.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.706 1.203 . . . . 0.0 111.586 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -54.78 -29.64 54.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.361 1.465 . . . . 0.0 114.468 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.8 t -59.44 -37.58 78.49 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.645 1.578 . . . . 0.0 112.572 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.88 -45.11 79.08 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.633 -0.667 . . . . 0.0 109.79 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.86 -51.9 66.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.816 -171.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.64 -42.37 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -60.31 -34.34 73.66 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.135 0.425 . . . . 0.0 111.872 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.56 64.33 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.78 0.832 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.59 -46.7 73.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.359 1.063 . . . . 0.0 112.711 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -57.46 -42.0 81.66 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.884 1.674 . . . . 0.0 112.624 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -66.02 -54.03 31.17 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.696 1.198 . . . . 0.0 112.37 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -73.52 -2.23 21.83 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -32.44 17.45 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.258 1.423 . . . . 0.0 114.449 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.75 -18.3 65.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.448 1.899 . . . . 0.0 113.958 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -64.22 -8.72 13.49 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.721 1.609 . . . . 0.0 113.414 168.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 p -128.41 -173.92 3.09 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.584 2.354 . . . . 0.0 112.26 170.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.67 -48.91 4.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.199 0.6 . . . . 0.0 111.913 154.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -60.67 -29.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.764 1.226 . . . . 0.0 113.113 -170.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -13.62 57.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.473 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -63.68 -37.45 87.4 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.333 -0.854 . . . . 0.0 111.845 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -98.34 65.32 1.66 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.173 1.389 . . . . 0.0 110.691 165.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.01 155.07 42.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.214 1.405 . . . . 0.0 112.282 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.88 150.3 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 127.932 2.493 . . . . 0.0 108.511 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 tt -123.77 132.37 53.78 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.631 1.573 . . . . 0.0 111.302 -177.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.38 107.83 11.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.429 1.891 . . . . 0.0 111.424 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.67 110.8 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.656 0.782 . . . . 0.0 111.583 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.35 129.31 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.051 1.74 . . . . 0.0 109.988 165.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -77.41 101.28 6.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.748 1.219 . . . . 0.0 110.817 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.58 142.04 33.18 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.858 1.263 . . . . 0.0 112.216 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.1 163.12 28.61 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 112.359 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.6 t -128.11 140.67 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.486 1.514 . . . . 0.0 110.41 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -133.71 134.01 42.51 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.599 1.16 . . . . 0.0 112.276 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.04 102.36 10.83 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.988 1.715 . . . . 0.0 111.797 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -87.49 148.09 25.09 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 127.001 2.12 . . . . 0.0 111.985 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 3.9 t -84.85 153.3 23.01 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.309 1.043 . . . . 0.0 113.221 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.26 -61.41 2.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.553 1.941 . . . . 0.0 114.576 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -130.05 58.45 1.66 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.722 1.609 . . . . 0.0 111.146 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.424 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.52 -157.95 0.82 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.96 2.104 . . . . 0.0 111.512 -165.012 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -149.65 37.69 0.74 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.87 1.268 . . . . 0.0 111.849 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -147.95 147.96 30.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.945 1.298 . . . . 0.0 112.586 -172.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.85 154.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 126.409 1.883 . . . . 0.0 110.748 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -144.61 178.23 8.12 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.899 1.279 . . . . 0.0 114.086 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.86 134.02 36.3 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 126.812 2.045 . . . . 0.0 111.144 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.36 118.3 5.27 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.986 2.457 . . . . 0.0 112.166 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -144.25 -76.51 0.23 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.652 1.181 . . . . 0.0 112.233 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.08 168.62 19.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 113.467 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.66 -67.77 0.67 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.751 1.621 . . . . 0.0 112.122 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.54 -26.41 68.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.181 0.993 . . . . 0.0 113.111 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -123.64 24.47 8.49 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.582 2.753 . . . . 0.0 111.401 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.69 31.84 3.53 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 127.606 2.527 . . . . 0.0 113.858 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.52 161.87 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 126.674 1.989 . . . . 0.0 112.685 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.33 140.2 58.65 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 122.075 0.94 . . . . 0.0 111.375 169.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.52 -40.21 93.81 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.248 1.019 . . . . 0.0 111.93 -175.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -75.75 -56.53 4.59 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.441 1.096 . . . . 0.0 112.076 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.81 111.77 20.18 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.799 1.64 . . . . 0.0 112.061 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 -65.25 57.67 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.663 2.785 . . . . 0.0 116.0 -171.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.5 m -140.4 155.64 46.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.482 2.313 . . . . 0.0 111.296 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -88.6 20.62 3.32 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 126.027 1.731 . . . . 0.0 113.638 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.74 -4.17 8.4 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.1 156.65 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.786 1.635 . . . . 0.0 114.409 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.62 156.58 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.542 1.937 . . . . 0.0 111.93 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.483 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.8 mp -76.55 113.14 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.033 1.333 . . . . 0.0 108.544 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 t -95.07 -12.24 26.88 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 0.0 112.613 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.95 134.11 9.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 126.643 1.977 . . . . 0.0 107.61 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.62 5.97 73.99 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -64.3 -45.9 85.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.296 1.839 . . . . 0.0 112.727 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -136.18 162.52 32.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.66 1.584 . . . . 0.0 112.595 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.0 ptm -78.48 164.6 24.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.01 1.324 . . . . 0.0 114.391 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -148.78 165.31 31.83 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.979 2.112 . . . . 0.0 112.111 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.9 156.81 31.8 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 164.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.56 -45.46 2.19 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.853 1.261 . . . . 0.0 112.249 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -158.8 169.3 24.68 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.322 1.049 . . . . 0.0 112.55 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mp -138.36 98.65 3.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.106 1.763 . . . . 0.0 107.97 164.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -75.01 132.01 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.857 0.863 . . . . 0.0 108.881 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.5 ptp -143.02 136.92 28.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.21 1.404 . . . . 0.0 110.771 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.09 90.77 0.2 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.021 1.728 . . . . 0.0 112.681 -172.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -157.35 125.1 5.36 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.283 2.233 . . . . 0.0 109.777 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.241 0.611 0 C-N-CA 126.288 1.835 . . . . 0.0 111.718 176.379 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -69.11 93.05 0.57 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.871 1.668 . . . . 0.0 112.56 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.0 ttm -142.08 140.28 32.5 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.04 1.736 . . . . 0.0 110.331 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -55.26 -47.21 75.79 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.281 1.032 . . . . 0.0 113.753 -171.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.1 -17.29 64.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -103.5 -3.05 25.85 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.153 1.381 . . . . 0.0 113.541 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -58.4 -50.24 74.38 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.208 1.003 . . . . 0.0 110.9 173.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -55.74 -52.74 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.36 -59.44 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.751 1.62 . . . . 0.0 111.028 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 t -58.97 -41.52 87.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.195 1.398 . . . . 0.0 111.726 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 t -61.2 -52.49 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.708 0.803 . . . . 0.0 111.74 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -56.37 20.92 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.953 1.301 . . . . 0.0 110.517 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.72 -48.61 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.867 1.667 . . . . 0.0 111.711 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.65 92.18 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.95 -46.95 87.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.756 . . . . 0.0 111.443 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -52.76 -49.32 65.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.383 1.473 . . . . 0.0 112.197 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.64 -36.9 79.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.945 1.298 . . . . 0.0 113.184 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -46.28 77.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -61.5 -41.56 97.48 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.09 0.556 . . . . 0.0 111.932 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.71 53.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.513 0.725 . . . . 0.0 112.318 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -62.1 -32.29 72.83 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -73.06 -37.75 66.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.982 0.913 . . . . 0.0 111.311 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -81.99 -1.34 47.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.727 1.611 . . . . 0.0 113.489 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.67 32.63 17.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.905 2.082 . . . . 0.0 112.676 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.29 59.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -171.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 56.33 4.15 0.13 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.461 2.304 . . . . 0.0 116.461 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -163.67 170.49 17.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.655 2.382 . . . . 0.0 111.409 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -131.52 151.04 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.81 2.044 . . . . 0.0 109.442 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.24 -60.4 1.8 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.405 0.682 . . . . 0.0 110.077 166.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -154.16 165.35 36.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 m -126.63 118.03 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.093 2.157 . . . . 0.0 109.779 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -91.27 127.58 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.279 1.431 . . . . 0.0 109.853 -173.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.17 121.57 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.544 1.137 . . . . 0.0 110.974 -173.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.21 119.71 5.53 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.618 1.58 . . . . 0.0 112.038 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.0 mt -128.81 129.61 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.794 1.637 . . . . 0.0 109.941 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.57 143.72 46.34 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 123.593 0.616 . . . . 0.0 112.831 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -28.63 49.53 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.727 -1.455 . . . . 0.0 113.647 -173.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -93.46 1.49 56.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.993 2.117 . . . . 0.0 113.9 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -66.7 -21.42 66.09 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.25 22.62 3.76 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.835 2.054 . . . . 0.0 115.144 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -58.19 136.17 57.22 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.843 1.257 . . . . 0.0 112.243 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.72 61.45 1.39 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.47 1.908 . . . . 0.0 111.94 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -53.96 -33.54 57.21 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.133 2.573 . . . . 0.0 114.715 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -61.87 -44.1 97.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.167 1.387 . . . . 0.0 112.112 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -66.54 -42.91 86.47 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.628 -0.67 . . . . 0.0 110.094 172.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.72 -54.76 43.48 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.681 -173.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.72 -42.78 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -61.32 -32.14 72.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.855 0.359 . . . . 0.0 111.891 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -46.44 58.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.231 1.012 . . . . 0.0 111.645 173.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -52.56 -47.9 66.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.587 0.755 . . . . 0.0 112.433 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.12 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.324 1.05 . . . . 0.0 112.549 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 m -58.54 -43.47 89.3 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.028 -1.045 . . . . 0.0 111.895 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -81.99 -2.39 51.42 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.265 1.426 . . . . 0.0 114.329 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -61.11 -25.97 67.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.512 1.506 . . . . 0.0 113.735 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.54 -22.62 66.16 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.917 1.687 . . . . 0.0 113.378 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.31 -16.49 59.76 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.3 m -134.03 115.86 14.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.599 1.56 . . . . 0.0 110.031 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.44 -31.43 71.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -164.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 m -72.7 -26.04 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.175 1.79 . . . . 0.0 112.524 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.1 -15.69 40.37 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.669 1.588 . . . . 0.0 112.981 -171.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -32.97 62.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.569 1.077 . . . . 0.0 113.462 173.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -87.15 -9.2 55.87 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.974 1.31 . . . . 0.0 114.217 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 162.59 28.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.7 mt -135.36 140.91 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 127.384 2.274 . . . . 0.0 108.365 172.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 129.75 34.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.632 0.773 . . . . 0.0 109.598 173.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -118.91 85.2 2.32 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.482 1.513 . . . . 0.0 111.61 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.69 129.69 36.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 111.34 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.62 118.17 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.951 2.1 . . . . 0.0 110.059 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -75.47 96.07 3.4 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.624 1.97 . . . . 0.0 112.522 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.12 130.79 35.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.218 1.407 . . . . 0.0 112.645 176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -60.71 131.7 51.54 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.283 1.033 . . . . 0.0 110.776 166.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.93 153.07 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.917 1.287 . . . . 0.0 110.733 169.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.53 145.71 31.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.763 0.825 . . . . 0.0 113.153 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.23 117.89 30.8 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.684 2.393 . . . . 0.0 110.434 -173.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -98.96 156.39 16.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.852 0.861 . . . . 0.0 111.949 169.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.2 t -80.54 160.5 25.16 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.81 0.814 . . . . 0.0 112.048 168.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -66.1 -69.95 0.27 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.911 2.085 . . . . 0.0 113.906 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.16 59.01 1.09 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.257 1.823 . . . . 0.0 110.659 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.69 -155.24 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.942 2.097 . . . . 0.0 110.608 -165.044 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 p -147.9 18.48 1.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.696 1.598 . . . . 0.0 113.309 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -131.26 152.58 50.39 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.249 1.42 . . . . 0.0 113.378 -170.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.4 t -146.0 137.9 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.962 2.505 . . . . 0.0 109.602 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -142.97 177.86 8.07 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.311 1.445 . . . . 0.0 113.199 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 143.28 26.4 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 125.748 1.619 . . . . 0.0 112.146 177.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.18 113.8 3.8 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.12 2.547 . . . . 0.0 113.253 -167.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -145.26 157.15 44.13 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.678 1.991 . . . . 0.0 109.966 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 56.3 -179.5 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 128.54 2.736 . . . . 0.0 116.07 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.78 -51.15 0.78 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.679 1.592 . . . . 0.0 112.988 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.0 -24.07 67.75 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.561 1.144 . . . . 0.0 113.884 -177.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -130.56 24.28 5.1 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.904 2.082 . . . . 0.0 112.804 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -80.09 14.34 21.45 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 125.477 1.513 . . . . 0.0 115.441 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -69.17 168.66 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.698 1.999 . . . . 0.0 113.403 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -62.11 135.58 57.58 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 121.994 0.902 . . . . 0.0 110.858 167.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.99 -39.82 91.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.251 1.02 . . . . 0.0 112.006 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -72.49 -59.35 2.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.082 1.353 . . . . 0.0 112.277 173.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -117.75 112.32 20.28 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.307 1.443 . . . . 0.0 111.676 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -74.87 68.38 1.75 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -163.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -141.58 160.9 39.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.161 2.184 . . . . 0.0 111.361 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -91.25 13.73 16.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.9 2.08 . . . . 0.0 113.924 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -65.49 -8.01 17.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.253 1.821 . . . . 0.0 115.847 -173.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.1 m -54.84 151.5 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.987 1.715 . . . . 0.0 113.77 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.95 154.19 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.676 1.59 . . . . 0.0 112.261 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -78.7 109.08 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.589 1.156 . . . . 0.0 108.41 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.02 -9.33 53.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.91 0.884 . . . . 0.0 112.809 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -161.93 126.97 3.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.545 . . . . 0.0 108.785 -167.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.83 12.37 81.45 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.468 1.033 . . . . 0.0 115.375 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -57.74 -37.68 74.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.5 1.52 . . . . 0.0 112.862 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -145.76 171.57 14.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.175 2.19 . . . . 0.0 110.703 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.96 152.46 24.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.211 1.004 . . . . 0.0 111.909 -176.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -160.46 165.67 30.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.875 1.27 . . . . 0.0 113.273 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.95 155.61 13.08 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.36 0.664 . . . . 0.0 111.993 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -128.66 -49.01 1.26 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.653 1.181 . . . . 0.0 112.015 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.4 p -164.06 179.32 7.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.304 1.842 . . . . 0.0 111.418 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 mp -137.07 163.78 29.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.589 1.156 . . . . 0.0 110.668 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.69 146.65 38.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.987 1.315 . . . . 0.0 111.784 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.71 151.01 51.96 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.129 1.772 . . . . 0.0 111.342 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.86 107.64 12.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.35 1.46 . . . . 0.0 109.615 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.37 -45.77 2.42 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.469 1.508 . . . . 0.0 113.556 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.24 0.572 0 C-N-CA 125.317 1.447 . . . . 0.0 111.995 -173.427 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -134.77 17.28 3.56 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.099 1.36 . . . . 0.0 113.689 -175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -140.33 166.72 23.93 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.488 1.515 . . . . 0.0 112.644 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -107.17 -4.95 18.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.247 1.419 . . . . 0.0 114.181 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -52.55 -59.42 4.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.666 1.586 . . . . 0.0 113.393 -169.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -87.27 -7.4 57.89 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -60.97 -50.2 74.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.097 0.959 . . . . 0.0 111.195 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 t -54.96 -51.24 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.465 0.706 . . . . 0.0 110.689 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.55 -58.86 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 125.052 1.341 . . . . 0.0 111.308 -168.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.1 t -56.7 -41.62 77.71 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.769 1.228 . . . . 0.0 112.213 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.7 t -60.61 -48.09 83.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.5 0.72 . . . . 0.0 112.287 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.37 -50.94 71.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.347 1.059 . . . . 0.0 112.459 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.68 -49.39 68.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.426 1.09 . . . . 0.0 110.883 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.72 95.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.827 0.851 . . . . 0.0 113.247 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.27 -45.34 88.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.203 1.801 . . . . 0.0 111.648 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.5 -49.78 76.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.281 1.032 . . . . 0.0 111.825 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.19 90.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.875 0.87 . . . . 0.0 112.328 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -60.59 -42.52 96.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.485 1.114 . . . . 0.0 113.35 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -69.37 -39.01 78.29 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.135 -0.978 . . . . 0.0 112.626 170.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -36.27 82.42 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -34.38 77.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.345 0.975 . . . . 0.0 112.773 170.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -76.84 -46.42 24.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.346 1.458 . . . . 0.0 110.81 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -77.56 -2.49 35.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.194 1.398 . . . . 0.0 113.097 172.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 56.37 27.67 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 112.777 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.73 55.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.727 1.611 . . . . 0.0 112.519 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m80 54.25 4.65 0.06 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 128.219 2.608 . . . . 0.0 117.402 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.88 146.01 17.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.716 2.006 . . . . 0.0 111.394 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.3 147.41 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.235 1.014 . . . . 0.0 109.488 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -89.9 -64.28 1.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.282 1.033 . . . . 0.0 110.083 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -143.62 113.07 6.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.184 1.394 . . . . 0.0 111.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -73.47 144.11 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 162.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -128.5 118.1 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.684 1.194 . . . . 0.0 109.793 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -125.21 145.16 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.986 1.714 . . . . 0.0 110.067 -174.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -117.3 135.37 11.82 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 125.006 1.289 . . . . 0.0 111.233 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -133.11 132.4 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.756 1.622 . . . . 0.0 108.393 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.95 146.8 47.06 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 121.547 0.526 . . . . 0.0 113.712 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -67.26 -17.47 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.365 1.466 . . . . 0.0 112.86 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -111.75 0.21 16.18 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.388 1.875 . . . . 0.0 113.903 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.2 m -70.6 -15.63 62.77 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.405 1.082 . . . . 0.0 113.834 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.29 3.05 0.23 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 128.337 2.655 . . . . 0.0 117.334 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.8 mtm -68.99 119.52 13.42 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.818 1.247 . . . . 0.0 111.002 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -69.5 93.56 0.69 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.406 1.482 . . . . 0.0 112.71 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -51.54 -36.08 43.51 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.829 2.052 . . . . 0.0 114.332 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -62.64 -39.37 93.65 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.693 1.597 . . . . 0.0 112.982 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.49 -43.43 63.66 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.362 -0.836 . . . . 0.0 109.705 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -58.13 -53.7 55.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.577 0.751 . . . . 0.0 111.629 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.96 -42.98 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 172.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -62.12 -31.37 71.83 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.237 0.472 . . . . 0.0 111.816 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -48.03 64.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.043 0.937 . . . . 0.0 111.677 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.76 -45.96 85.2 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.945 0.898 . . . . 0.0 112.225 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.92 -50.0 75.69 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 0.0 111.51 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.1 m -54.61 -52.01 63.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.992 0.917 . . . . 0.0 111.587 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -79.67 9.62 4.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -31.29 19.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.189 1.359 . . . . 0.0 113.128 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.62 -20.63 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.823 1.649 . . . . 0.0 114.383 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.57 -18.0 64.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.8 1.24 . . . . 0.0 113.207 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -151.07 123.29 8.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.642 1.177 . . . . 0.0 112.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.52 -27.9 51.45 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.404 1.082 . . . . 0.0 113.31 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 m -66.5 -28.82 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.487 1.115 . . . . 0.0 113.161 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.19 -23.86 28.15 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.099 1.76 . . . . 0.0 113.619 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.12 -11.32 38.8 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.44 1.37 11.76 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.238 1.815 . . . . 0.0 113.519 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.66 169.17 17.98 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.138 1.375 . . . . 0.0 113.445 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.0 mm -132.92 157.52 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 127.353 2.261 . . . . 0.0 108.967 169.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tp -121.39 103.79 9.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.131 1.773 . . . . 0.0 110.717 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.77 124.21 32.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.806 1.642 . . . . 0.0 111.815 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.8 mt -116.91 99.12 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.505 1.122 . . . . 0.0 111.264 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.4 t -69.84 127.77 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 127.011 2.124 . . . . 0.0 111.311 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -79.01 100.03 7.13 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.107 1.363 . . . . 0.0 110.811 168.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -83.06 140.5 32.64 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.498 1.119 . . . . 0.0 112.671 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.72 160.02 32.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.592 0.757 . . . . 0.0 111.636 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.83 140.27 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.285 1.434 . . . . 0.0 110.209 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.24 138.15 39.81 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.4 mt -117.96 97.29 5.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 127.129 2.172 . . . . 0.0 112.876 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 152.77 33.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 126.935 2.094 . . . . 0.0 112.338 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.3 t -80.27 163.37 24.03 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 121.949 0.88 . . . . 0.0 112.601 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -68.4 -67.26 0.48 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.584 1.954 . . . . 0.0 114.057 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.27 60.52 1.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.782 1.633 . . . . 0.0 111.056 -169.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.431 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -146.24 -159.78 1.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.995 2.118 . . . . 0.0 111.254 -163.141 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -150.52 63.08 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.482 1.113 . . . . 0.0 110.353 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -155.74 154.57 31.65 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.393 1.077 . . . . 0.0 113.239 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 p -151.04 140.56 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 127.263 2.225 . . . . 0.0 111.146 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.76 -178.44 5.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.832 2.053 . . . . 0.0 111.822 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -110.02 146.0 33.26 Favored Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 124.703 1.201 . . . . 0.0 112.564 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -65.52 101.23 0.43 Allowed 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.791 2.994 . . . . 0.0 112.008 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -142.09 -58.23 0.46 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 112.114 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.84 164.13 22.66 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.025 0.93 . . . . 0.0 113.17 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.42 -63.02 0.85 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.627 1.571 . . . . 0.0 111.997 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.88 -25.29 66.32 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.931 0.892 . . . . 0.0 112.861 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -107.82 21.35 17.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.162 2.185 . . . . 0.0 112.289 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.25 3.04 11.76 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 126.129 1.823 . . . . 0.0 116.568 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.17 165.51 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.234 1.414 . . . . 0.0 112.773 169.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.04 140.41 58.84 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 122.077 0.942 . . . . 0.0 110.858 169.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.46 -38.29 89.23 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.785 0.834 . . . . 0.0 111.839 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.29 -56.41 4.58 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.368 1.067 . . . . 0.0 112.468 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.66 124.44 49.73 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.225 1.41 . . . . 0.0 112.295 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -78.54 69.41 4.72 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.356 -1.465 . . . . 0.0 113.545 -168.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -145.93 159.27 43.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.168 2.187 . . . . 0.0 110.824 172.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -99.58 22.53 10.71 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.908 1.683 . . . . 0.0 113.079 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.79 -3.03 13.77 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.313 2.245 . . . . 0.0 115.792 -173.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.4 m -53.95 152.46 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.956 1.703 . . . . 0.0 114.399 -174.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 155.76 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.244 1.818 . . . . 0.0 112.012 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.09 111.36 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.679 1.192 . . . . 0.0 108.448 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.5 t -92.26 -13.03 31.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.851 0.86 . . . . 0.0 112.414 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -157.57 125.65 5.45 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 127.354 2.262 . . . . 0.0 107.567 -170.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.78 38.84 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 115.71 1.044 . . . . 0.0 115.71 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -58.47 -48.9 79.25 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.83 1.315 . . . . 0.0 112.333 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -153.38 167.56 29.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.66 1.584 . . . . 0.0 112.52 -172.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.5 ttt -66.91 147.77 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.221 1.408 . . . . 0.0 112.402 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -141.9 152.72 43.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.424 1.49 . . . . 0.0 112.503 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.14 115.77 17.21 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.601 1.561 . . . . 0.0 108.781 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.01 -64.5 0.93 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.952 0.796 . . . . 0.0 111.199 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -159.27 171.26 20.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.639 1.576 . . . . 0.0 113.113 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.02 115.39 17.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.613 1.565 . . . . 0.0 109.629 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -78.66 107.47 11.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.785 0.834 . . . . 0.0 108.841 167.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.48 150.78 41.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.915 0.886 . . . . 0.0 111.435 173.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt -80.24 75.69 7.04 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.737 0.815 . . . . 0.0 110.574 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.77 -64.99 1.05 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.125 1.37 . . . . 0.0 112.536 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 124.886 1.275 . . . . 0.0 112.384 -179.076 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -125.28 88.67 2.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.693 1.597 . . . . 0.0 110.777 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.03 94.87 0.36 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.504 1.522 . . . . 0.0 111.654 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -135.05 -36.71 0.81 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.36 1.464 . . . . 0.0 113.36 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.26 -29.15 65.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.683 1.193 . . . . 0.0 113.656 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -71.82 -5.88 37.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.185 1.394 . . . . 0.0 114.172 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.6 t -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.502 1.121 . . . . 0.0 111.817 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.57 -50.66 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.378 0.671 . . . . 0.0 110.556 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.43 -58.23 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.683 1.593 . . . . 0.0 111.554 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.9 t -57.31 -42.84 82.58 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.289 1.436 . . . . 0.0 111.97 175.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -62.18 -48.39 80.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.33 0.652 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.06 -54.36 36.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.082 1.753 . . . . 0.0 110.525 176.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -49.95 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.319 1.448 . . . . 0.0 111.72 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.42 85.67 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.33 -47.52 81.86 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.631 0.772 . . . . 0.0 111.506 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 t -54.3 -48.66 71.03 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.615 1.166 . . . . 0.0 112.162 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -53.86 -59.5 4.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.321 1.448 . . . . 0.0 111.911 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.37 75.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.926 1.29 . . . . 0.0 113.22 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.36 -42.85 96.65 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.459 -0.775 . . . . 0.0 112.187 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.75 72.99 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.631 -0.668 . . . . 0.0 112.475 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -66.65 -26.04 66.87 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.507 1.049 . . . . 0.0 113.672 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -71.07 -42.88 68.81 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.314 1.046 . . . . 0.0 110.748 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -79.49 -3.83 48.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.184 1.794 . . . . 0.0 113.189 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 61.74 23.91 14.13 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.725 2.01 . . . . 0.0 112.7 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.84 -43.87 29.05 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.041 1.336 . . . . 0.0 112.747 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 56.73 5.93 0.26 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.737 2.415 . . . . 0.0 116.751 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.13 170.23 21.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.52 2.728 . . . . 0.0 110.612 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -129.35 153.98 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.447 1.499 . . . . 0.0 110.459 -166.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.04 -67.08 0.85 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.093 0.957 . . . . 0.0 108.475 162.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -145.04 169.8 17.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.726 1.61 . . . . 0.0 113.938 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.28 126.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 127.711 2.404 . . . . 0.0 108.7 168.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.12 127.88 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.208 1.403 . . . . 0.0 109.986 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.9 t -131.43 122.7 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.348 1.059 . . . . 0.0 111.617 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.11 137.11 13.69 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.678 1.609 . . . . 0.0 113.211 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mt -135.0 131.54 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.984 2.113 . . . . 0.0 108.731 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.49 128.91 46.45 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 123.73 0.681 . . . . 0.0 113.067 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -68.94 -18.91 64.16 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.305 -1.115 . . . . 0.0 113.8 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.56 -4.75 23.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.101 1.361 . . . . 0.0 113.928 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -78.84 -14.27 59.34 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.919 1.288 . . . . 0.0 113.269 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.03 16.86 2.36 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.887 2.475 . . . . 0.0 116.934 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.36 136.0 55.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.181 0.993 . . . . 0.0 111.614 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -72.8 86.88 1.26 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.274 1.43 . . . . 0.0 112.427 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -26.59 45.6 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -57.99 -38.89 76.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.007 1.323 . . . . 0.0 112.062 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.06 -43.95 81.39 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.654 -0.654 . . . . 0.0 110.0 172.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.9 -53.27 59.81 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -170.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -41.79 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t -62.68 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.02 68.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.992 0.917 . . . . 0.0 111.42 173.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -54.47 30.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.838 0.855 . . . . 0.0 111.512 170.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -71.95 -18.59 62.0 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.7 m -67.83 -56.86 7.56 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.175 -0.953 . . . . 0.0 110.981 166.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -77.01 -9.65 58.84 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.82 -30.77 15.15 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.288 1.435 . . . . 0.0 114.268 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.75 -30.84 15.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.909 2.084 . . . . 0.0 114.122 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.44 -16.72 56.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.34 1.456 . . . . 0.0 114.388 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -138.03 125.49 21.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.54 1.536 . . . . 0.0 113.022 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.77 -34.46 71.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.482 1.113 . . . . 0.0 112.668 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -32.64 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.262 0.625 . . . . 0.0 111.479 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.5 m -76.26 -23.6 54.47 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 125.531 1.533 . . . . 0.0 112.72 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -68.17 -14.16 62.77 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.913 1.285 . . . . 0.0 113.696 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -129.28 76.55 1.73 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.65 1.98 . . . . 0.0 109.571 170.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.92 166.29 33.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.753 2.021 . . . . 0.0 111.904 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.6 mt -134.84 151.39 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 126.114 1.766 . . . . 0.0 109.107 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tt -118.5 110.68 17.69 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.879 1.272 . . . . 0.0 110.359 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.86 108.41 20.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.263 1.825 . . . . 0.0 111.218 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mm -68.8 140.13 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.448 1.099 . . . . 0.0 110.381 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -128.59 123.94 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.052 1.741 . . . . 0.0 110.185 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.81 96.73 4.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.649 0.78 . . . . 0.0 110.508 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.49 144.41 55.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 110.75 169.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.95 164.03 7.03 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.573 -0.705 . . . . 0.0 111.484 166.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.13 160.58 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.964 0.906 . . . . 0.0 111.179 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -157.21 144.22 18.47 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.503 0.721 . . . . 0.0 110.959 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.543 HD13 ' HD3' ' A' ' 85' ' ' PRO . 10.2 mp -123.83 124.6 43.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.914 1.685 . . . . 0.0 111.119 -175.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -96.81 156.11 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.962 0.905 . . . . 0.0 111.928 171.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.7 t -84.2 155.06 22.71 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.879 0.872 . . . . 0.0 111.597 168.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -70.23 0.24 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.02 2.128 . . . . 0.0 113.821 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -115.07 59.86 0.7 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.101 1.76 . . . . 0.0 111.66 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.89 -153.27 0.46 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.162 2.585 . . . . 0.0 109.627 -168.126 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 t -147.42 14.24 1.1 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 168.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -127.6 158.94 36.16 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.729 1.212 . . . . 0.0 113.694 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -146.79 133.22 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.703 2.401 . . . . 0.0 109.982 -168.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.19 -177.78 6.13 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.057 1.343 . . . . 0.0 114.127 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.01 142.26 24.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.835 1.654 . . . . 0.0 113.011 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.543 ' HD3' HD13 ' A' ' 74' ' ' LEU . 54.9 Cg_endo -72.98 109.71 2.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.394 3.396 . . . . 0.0 112.714 -175.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -142.87 157.81 44.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.858 2.063 . . . . 0.0 109.64 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 56.5 176.97 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 128.431 2.692 . . . . 0.0 115.196 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.04 -51.06 0.83 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.275 1.43 . . . . 0.0 113.063 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.07 -21.99 66.9 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.252 -0.905 . . . . 0.0 113.17 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -112.15 17.57 19.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.427 2.291 . . . . 0.0 112.197 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.44 -2.87 51.6 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.988 1.756 . . . . 0.0 116.391 -170.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 m -58.79 167.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 118.657 1.229 . . . . 0.0 112.658 167.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.32 161.34 3.38 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.358 1.463 . . . . 0.0 111.975 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.43 -46.16 18.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.553 . . . . 0.0 111.448 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -79.28 -75.41 0.24 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 111.766 176.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.2 p -71.35 176.07 4.91 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.097 1.359 . . . . 0.0 111.657 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -123.09 44.23 2.73 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.602 -1.311 . . . . 0.0 113.716 -169.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.9 m -131.53 155.67 47.05 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.695 1.198 . . . . 0.0 111.964 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -92.13 15.64 13.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.214 2.206 . . . . 0.0 113.711 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -0.11 5.32 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.692 1.997 . . . . 0.0 115.788 -176.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.47 149.02 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.598 1.159 . . . . 0.0 112.842 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.36 152.05 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.516 1.527 . . . . 0.0 111.846 178.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.3 mp -73.57 115.06 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.538 1.535 . . . . 0.0 108.227 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -101.16 -6.31 24.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.458 1.103 . . . . 0.0 112.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -154.45 121.83 5.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.598 1.959 . . . . 0.0 108.836 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 95.77 2.94 61.06 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.851 1.215 . . . . 0.0 115.511 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.3 -33.32 67.56 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.411 1.485 . . . . 0.0 114.276 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -137.35 154.13 50.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.563 1.545 . . . . 0.0 110.768 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ptm -76.63 147.43 37.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.331 0.652 . . . . 0.0 111.987 170.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -150.18 153.15 35.79 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.654 1.582 . . . . 0.0 111.903 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -61.3 153.71 25.77 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.888 -0.507 . . . . 0.0 112.198 167.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -118.51 -51.99 2.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.075 1.35 . . . . 0.0 111.916 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -160.79 173.65 15.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.363 1.065 . . . . 0.0 112.19 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.64 160.33 23.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.544 1.538 . . . . 0.0 109.561 166.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -126.98 143.69 51.22 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.924 1.69 . . . . 0.0 110.108 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.7 mtt -134.59 157.95 45.27 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.784 1.634 . . . . 0.0 110.8 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.2 mt -131.3 96.89 4.12 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.188 1.395 . . . . 0.0 111.395 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.36 -11.58 8.33 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.824 1.65 . . . . 0.0 113.983 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 125.389 1.476 . . . . 0.0 112.576 179.59 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -75.76 74.9 2.72 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.734 1.213 . . . . 0.0 112.187 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.4 mtp -76.42 136.22 39.45 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.131 1.372 . . . . 0.0 111.263 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -62.7 -27.18 69.08 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.441 0.696 . . . . 0.0 112.621 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -56.12 -44.49 79.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.014 1.325 . . . . 0.0 112.335 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -86.04 0.61 52.96 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.821 1.248 . . . . 0.0 114.08 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.0 t -58.1 -55.02 40.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.033 0.933 . . . . 0.0 111.178 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.23 -49.17 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.659 0.783 . . . . 0.0 111.06 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.11 -61.79 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 125.372 1.469 . . . . 0.0 111.38 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.7 t -59.9 -44.25 94.37 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.056 1.342 . . . . 0.0 111.619 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 m -60.94 -48.59 81.11 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.352 0.661 . . . . 0.0 112.248 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.57 -52.85 63.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.052 0.842 . . . . 0.0 112.373 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -51.29 -48.27 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.196 0.999 . . . . 0.0 111.127 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.94 88.1 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -43.78 97.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.183 1.393 . . . . 0.0 111.788 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.51 -48.33 82.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.427 1.491 . . . . 0.0 112.361 173.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -56.26 -48.59 76.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.146 0.978 . . . . 0.0 111.238 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.39 -47.78 78.24 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.976 1.31 . . . . 0.0 112.409 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -61.87 -40.8 96.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.126 -0.984 . . . . 0.0 112.408 173.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.4 92.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.325 0.966 . . . . 0.0 112.317 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -19.38 61.72 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -81.59 -42.68 19.73 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.695 1.198 . . . . 0.0 111.023 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -81.0 -5.54 57.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.138 1.775 . . . . 0.0 113.028 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 63.46 21.68 12.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.904 2.082 . . . . 0.0 112.886 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.88 69.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.725 1.21 . . . . 0.0 112.376 -173.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.4 m80 55.01 18.06 2.11 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.716 2.006 . . . . 0.0 114.699 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -165.56 174.71 9.6 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 129.367 3.067 . . . . 0.0 110.115 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -114.47 177.35 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 126.299 1.84 . . . . 0.0 107.985 170.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -118.27 -62.53 1.53 Allowed 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.283 -1.511 . . . . 0.0 110.011 160.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -153.82 107.41 2.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.975 0.91 . . . . 0.0 112.341 -168.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -78.6 147.68 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.927 0.891 . . . . 0.0 110.86 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.73 114.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.242 1.417 . . . . 0.0 109.653 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.3 t -131.19 117.05 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.06 1.344 . . . . 0.0 111.38 -171.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.34 134.84 13.95 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.043 1.306 . . . . 0.0 112.528 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -130.13 131.14 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.371 1.869 . . . . 0.0 108.314 174.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.3 143.74 48.62 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.864 0.745 . . . . 0.0 113.925 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.01 -16.73 63.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.591 1.157 . . . . 0.0 112.877 -173.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -113.69 3.23 15.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.422 1.889 . . . . 0.0 113.944 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -68.55 -23.95 64.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.944 0.898 . . . . 0.0 112.985 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.27 9.97 0.4 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 128.121 2.568 . . . . 0.0 116.727 173.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.72 154.87 41.43 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.139 -0.975 . . . . 0.0 112.94 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.99 85.78 4.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.98 1.312 . . . . 0.0 111.514 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -54.14 -28.24 38.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.255 1.822 . . . . 0.0 114.63 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 t -55.76 -42.47 75.5 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.679 1.592 . . . . 0.0 112.28 172.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.312 0.505 . . . . 0.0 110.69 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.04 -50.37 73.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 110.968 -174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -41.35 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 p -66.87 -31.65 72.39 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.078 0.399 . . . . 0.0 111.911 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.04 -49.79 64.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.507 1.123 . . . . 0.0 111.123 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.34 -55.28 19.26 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.756 0.823 . . . . 0.0 111.567 172.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.42 -42.47 78.1 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.527 1.531 . . . . 0.0 113.338 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -63.3 -44.24 95.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.51 0.724 . . . . 0.0 112.053 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -83.57 -25.48 30.9 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -63.1 -14.98 54.94 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.54 -9.74 14.67 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.543 1.537 . . . . 0.0 114.525 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -62.79 -18.62 63.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.517 1.527 . . . . 0.0 113.82 172.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -137.52 174.0 11.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.917 1.687 . . . . 0.0 111.396 173.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.27 -46.34 9.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.25 1.42 . . . . 0.0 111.549 173.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -62.97 -28.45 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 125.191 1.396 . . . . 0.0 112.044 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.72 -21.32 59.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.55 2.34 . . . . 0.0 113.418 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -81.9 -36.12 28.45 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -77.52 74.94 4.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.674 1.19 . . . . 0.0 110.198 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.24 158.05 43.86 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.864 1.265 . . . . 0.0 112.538 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.3 mt -131.7 148.4 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.528 2.331 . . . . 0.0 107.719 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -116.61 105.24 12.22 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.967 1.307 . . . . 0.0 111.326 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -80.82 105.9 12.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.451 1.1 . . . . 0.0 111.595 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.29 105.59 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 109.341 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.34 130.58 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.245 1.418 . . . . 0.0 110.304 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.68 94.06 2.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.745 1.218 . . . . 0.0 111.45 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.45 123.94 26.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.581 1.153 . . . . 0.0 110.911 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 160.02 12.8 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.224 -0.923 . . . . 0.0 111.991 170.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.79 159.36 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.025 0.93 . . . . 0.0 112.344 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -151.46 140.23 20.84 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.53 98.02 6.98 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.567 2.347 . . . . 0.0 111.591 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.82 150.09 29.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.861 1.665 . . . . 0.0 111.857 167.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 3.6 t -90.1 154.24 19.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.176 1.39 . . . . 0.0 112.872 174.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -62.34 -63.29 1.28 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.247 1.819 . . . . 0.0 114.493 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -128.76 60.1 1.53 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.698 1.599 . . . . 0.0 111.023 -170.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER -141.62 -156.83 0.71 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.889 2.076 . . . . 0.0 111.39 -165.369 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 t -151.01 33.33 0.59 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.887 1.275 . . . . 0.0 112.319 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -147.02 150.77 35.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.982 1.313 . . . . 0.0 112.486 -171.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.58 151.68 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 126.176 1.79 . . . . 0.0 110.848 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.75 -175.29 4.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.772 1.629 . . . . 0.0 112.03 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -113.89 145.69 34.03 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.791 1.236 . . . . 0.0 112.508 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.55 110.43 1.85 Allowed 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 124.096 3.198 . . . . 0.0 112.497 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -136.03 -58.48 0.76 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.476 1.51 . . . . 0.0 111.633 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.75 167.62 15.01 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.214 1.006 . . . . 0.0 113.025 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.19 -67.6 0.7 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.446 1.498 . . . . 0.0 111.693 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.46 -28.41 69.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.567 1.147 . . . . 0.0 113.143 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -117.43 26.78 9.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.443 2.297 . . . . 0.0 112.21 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.44 23.8 1.2 Allowed Glycine 0 CA--C 1.54 1.596 0 C-N-CA 127.101 2.286 . . . . 0.0 115.497 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 m -64.84 162.74 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.092 1.757 . . . . 0.0 112.051 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -66.55 148.54 51.75 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.248 1.019 . . . . 0.0 111.428 172.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.44 -44.81 81.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.702 0.801 . . . . 0.0 111.967 -175.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -74.25 -56.42 4.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.669 1.188 . . . . 0.0 112.175 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.0 p -111.64 123.88 51.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.524 1.53 . . . . 0.0 111.527 -173.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.59 60.49 3.31 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.24 -1.537 . . . . 0.0 113.609 -168.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.3 m -138.48 155.95 47.97 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.043 2.137 . . . . 0.0 110.793 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -100.44 16.4 24.68 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.967 1.707 . . . . 0.0 113.279 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.52 -1.07 5.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.823 2.449 . . . . 0.0 115.984 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.0 m -56.11 154.35 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.464 1.506 . . . . 0.0 113.978 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.7 155.23 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.219 1.808 . . . . 0.0 111.854 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 mm -77.51 107.73 9.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.143 0.977 . . . . 0.0 108.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.6 t -90.41 -10.04 45.33 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.445 -0.784 . . . . 0.0 112.279 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -159.15 126.03 4.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.551 1.941 . . . . 0.0 108.414 -173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.05 22.45 59.26 Favored Glycine 0 CA--C 1.536 1.381 0 N-CA-C 114.832 0.693 . . . . 0.0 114.832 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -33.58 72.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 112.265 175.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -149.51 165.56 31.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.877 1.671 . . . . 0.0 111.748 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.1 ptm -69.43 144.99 53.15 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.18 0.592 . . . . 0.0 112.27 172.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -150.95 144.61 25.05 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.953 1.701 . . . . 0.0 111.516 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -61.25 149.68 37.01 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.677 -0.639 . . . . 0.0 112.723 167.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -105.2 -60.0 1.68 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.417 1.487 . . . . 0.0 110.319 170.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.4 p -155.8 165.86 35.24 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.459 1.504 . . . . 0.0 112.776 -169.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.7 mt -132.96 108.32 8.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.934 1.693 . . . . 0.0 109.313 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -77.15 143.36 39.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.432 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 62.2 mtt -131.59 140.19 49.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.717 1.607 . . . . 0.0 112.442 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.51 116.7 9.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.742 1.617 . . . . 0.0 111.36 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.6 -59.14 0.77 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.413 1.485 . . . . 0.0 112.377 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 124.562 1.145 . . . . 0.0 111.996 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 t -65.96 -52.79 46.49 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.149 0.979 . . . . 0.0 113.173 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 37.0 mtt -89.09 141.14 28.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.225 1.01 . . . . 0.0 111.663 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -63.17 -34.65 78.09 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.723 0.809 . . . . 0.0 113.101 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.47 -26.48 68.55 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -84.71 -2.5 57.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 t -56.71 -50.11 73.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.16 -49.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.577 0.751 . . . . 0.0 110.892 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.49 -56.46 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.229 1.011 . . . . 0.0 111.015 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -57.88 -38.19 75.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.343 1.057 . . . . 0.0 112.003 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.5 t -62.6 -43.59 98.43 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.736 0.814 . . . . 0.0 111.863 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 HG21 ' A' ' 31' ' ' VAL . 4.6 tt -56.39 -50.15 72.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.676 1.19 . . . . 0.0 111.106 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.5 -49.41 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.227 0.922 . . . . 0.0 111.1 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.67 90.7 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.34 1.056 . . . . 0.0 113.018 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 mt -63.18 -50.89 68.56 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.048 1.339 . . . . 0.0 111.914 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.8 m -55.83 -46.16 78.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.294 0.952 . . . . 0.0 112.502 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.0 -56.92 13.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.545 1.138 . . . . 0.0 111.964 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.88 -48.28 82.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.129 0.972 . . . . 0.0 113.172 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -62.06 -38.43 88.75 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.149 -0.969 . . . . 0.0 112.18 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.41 72.21 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.82 0.736 . . . . 0.0 112.037 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.2 -31.84 73.21 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.444 1.02 . . . . 0.0 113.119 175.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -71.47 -40.24 70.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.399 1.079 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -79.3 -5.07 53.62 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.205 1.402 . . . . 0.0 113.32 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.86 31.51 19.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.818 2.047 . . . . 0.0 112.372 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.3 -33.12 29.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.497 1.519 . . . . 0.0 113.214 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 52.75 16.31 0.66 Allowed 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 126.887 2.075 . . . . 0.0 115.365 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -158.68 163.54 36.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.825 1.65 . . . . 0.0 111.498 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.4 mm -131.71 133.84 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.65 1.98 . . . . 0.0 107.857 168.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.66 -55.63 4.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 0.0 109.026 168.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -148.31 160.37 43.05 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 12' ' ' LEU . 2.2 p -129.92 113.53 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.911 2.484 . . . . 0.0 110.402 173.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 t -89.47 125.14 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.771 1.629 . . . . 0.0 110.123 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.19 122.0 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.855 1.262 . . . . 0.0 111.05 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.2 122.49 6.2 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.808 1.67 . . . . 0.0 111.72 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mt -125.8 122.21 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.204 1.402 . . . . 0.0 109.142 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.66 136.23 49.12 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.318 0.961 . . . . 0.0 112.738 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -68.37 -12.61 61.38 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.443 -1.034 . . . . 0.0 113.319 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -110.9 0.89 17.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.572 1.949 . . . . 0.0 114.21 173.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 m -70.96 -9.01 57.14 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.54 19.74 4.4 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.05 2.14 . . . . 0.0 115.459 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.79 136.39 54.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.789 1.236 . . . . 0.0 111.445 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -74.89 86.87 2.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.42 0.688 . . . . 0.0 109.672 163.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -58.67 -31.91 68.62 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.656 -1.277 . . . . 0.0 113.899 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.1 t -60.85 -44.94 96.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.631 1.572 . . . . 0.0 111.952 170.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.77 -49.06 79.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.901 0.88 . . . . 0.0 110.171 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.66 -51.33 67.6 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.75 -39.67 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -64.3 -30.3 71.35 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.03 -47.63 61.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.947 1.299 . . . . 0.0 110.805 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -52.13 -49.44 63.7 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.68 -0.637 . . . . 0.0 112.461 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.6 -24.77 67.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.22 1.808 . . . . 0.0 113.71 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.0 m -75.05 -63.47 1.26 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 170.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -77.35 -4.86 47.28 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -167.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -21.59 13.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.414 1.486 . . . . 0.0 114.864 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.32 -22.28 64.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.938 1.695 . . . . 0.0 114.237 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.62 -15.3 51.0 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.421 1.089 . . . . 0.0 113.347 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -131.04 -174.83 3.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.536 1.934 . . . . 0.0 111.01 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.7 tp -110.92 -41.86 4.14 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.631 1.572 . . . . 0.0 111.822 169.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -60.9 -23.44 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.818 1.247 . . . . 0.0 112.714 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.1 m -78.31 -28.67 47.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.221 1.409 . . . . 0.0 113.295 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -71.53 -11.68 60.99 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -124.77 7.48 8.13 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.754 1.622 . . . . 0.0 113.674 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.24 170.03 16.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.483 1.513 . . . . 0.0 113.313 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.4 mt -128.17 152.81 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.936 1.694 . . . . 0.0 109.885 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tt -112.79 111.09 21.62 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.915 1.286 . . . . 0.0 110.693 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.11 96.95 10.05 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.434 1.094 . . . . 0.0 111.579 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.17 107.79 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.213 1.005 . . . . 0.0 109.933 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.0 t -93.96 117.91 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.499 1.52 . . . . 0.0 109.953 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.46 97.49 2.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.016 1.326 . . . . 0.0 110.816 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -77.96 116.08 18.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.423 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.66 140.21 58.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.419 0.688 . . . . 0.0 110.939 174.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.03 161.04 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.773 1.229 . . . . 0.0 111.628 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -152.08 140.67 20.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.676 0.79 . . . . 0.0 112.234 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.44 112.69 24.61 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.106 2.162 . . . . 0.0 111.611 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -91.93 154.18 19.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.232 0.613 . . . . 0.0 111.759 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.9 t -79.18 157.58 27.85 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.796 0.808 . . . . 0.0 111.826 166.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -60.55 -65.13 0.74 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.934 2.094 . . . . 0.0 114.65 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -131.24 58.12 1.73 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.558 1.543 . . . . 0.0 110.808 -169.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -141.02 -156.06 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.555 1.942 . . . . 0.0 111.383 -162.801 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -139.6 4.11 2.13 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -122.05 159.02 27.92 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.972 1.309 . . . . 0.0 114.228 -172.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.23 133.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 128.282 2.633 . . . . 0.0 109.594 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -138.26 -175.82 4.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.032 1.733 . . . . 0.0 112.616 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -113.94 145.72 34.13 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 125.226 1.41 . . . . 0.0 113.455 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.09 104.85 1.28 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.208 3.272 . . . . 0.0 112.324 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -130.52 -60.3 1.0 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.992 1.717 . . . . 0.0 111.074 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.41 168.17 18.03 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.207 1.003 . . . . 0.0 112.851 170.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.74 -67.66 0.67 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.575 1.55 . . . . 0.0 111.697 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.75 -29.67 70.86 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.505 1.122 . . . . 0.0 113.28 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -117.13 24.73 10.98 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.664 2.386 . . . . 0.0 112.169 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.51 28.38 1.78 Allowed Glycine 0 CA--C 1.537 1.431 0 C-N-CA 127.173 2.321 . . . . 0.0 114.517 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.05 161.32 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 126.76 2.024 . . . . 0.0 112.438 174.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.24 146.15 54.95 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.538 1.161 . . . . 0.0 111.697 171.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.01 -42.44 84.95 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.757 0.823 . . . . 0.0 111.773 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -76.12 -43.81 41.43 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.711 0.804 . . . . 0.0 111.762 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.17 121.56 27.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.229 1.412 . . . . 0.0 112.211 -175.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -78.62 60.95 2.83 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.43 -1.419 . . . . 0.0 114.134 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 m -139.23 151.44 46.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.748 2.019 . . . . 0.0 111.15 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -86.67 18.82 3.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.5 1.92 . . . . 0.0 114.31 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.54 -2.6 6.83 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.447 1.899 . . . . 0.0 115.951 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.8 154.4 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.865 1.666 . . . . 0.0 114.357 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.59 155.85 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.763 1.625 . . . . 0.0 112.55 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.17 107.59 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.842 1.257 . . . . 0.0 109.518 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.46 -10.83 47.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.128 0.971 . . . . 0.0 112.692 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -160.71 131.92 5.61 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.507 1.923 . . . . 0.0 107.616 -171.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.76 16.04 76.24 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 123.4 0.524 . . . . 0.0 114.084 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.51 -42.38 87.42 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 111.973 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.35 161.54 37.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.382 1.873 . . . . 0.0 111.441 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.6 ptm -78.93 153.3 30.54 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.904 0.881 . . . . 0.0 112.516 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -149.11 153.82 38.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.205 1.802 . . . . 0.0 111.926 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.84 148.84 45.88 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.022 161.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -115.12 -58.93 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.45 1.1 . . . . 0.0 112.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.0 t -160.66 175.66 12.41 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.042 1.337 . . . . 0.0 111.376 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 mt -121.51 167.3 13.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.89 135.55 49.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.41 1.884 . . . . 0.0 108.736 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.2 mtt -123.24 138.48 54.62 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.996 1.718 . . . . 0.0 109.667 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.21 167.16 10.67 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.55 0.74 . . . . 0.0 112.428 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 61.7 -10.27 0.07 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.432 2.693 . . . . 0.0 116.986 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 126.37 1.868 . . . . 0.0 113.639 -176.927 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -135.31 18.61 3.39 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.318 1.447 . . . . 0.0 113.599 -175.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 78.8 mtm -61.29 118.66 7.18 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.033 1.333 . . . . 0.0 112.356 -177.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -53.82 -32.34 52.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.114 1.365 . . . . 0.0 113.775 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.2 -33.9 63.44 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.402 1.881 . . . . 0.0 113.439 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.58 -12.31 10.96 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.981 1.312 . . . . 0.0 113.961 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.4 t -55.68 -48.33 75.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.909 0.884 . . . . 0.0 110.935 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -43.4 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.865 0.866 . . . . 0.0 113.122 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.35 -58.13 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.662 1.985 . . . . 0.0 110.829 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -56.83 -41.44 77.84 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.858 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -60.75 -49.78 76.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.513 1.125 . . . . 0.0 112.128 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.16 -49.57 73.62 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.184 0.994 . . . . 0.0 111.479 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.74 -47.03 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.409 1.083 . . . . 0.0 111.136 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.44 80.0 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.705 1.202 . . . . 0.0 112.617 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.3 mt -58.13 -50.88 71.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.718 1.207 . . . . 0.0 111.567 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.8 m -55.02 -47.5 74.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.66 0.784 . . . . 0.0 112.401 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -57.48 -52.62 64.65 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.093 0.957 . . . . 0.0 111.923 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.31 -47.34 85.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.31 1.044 . . . . 0.0 112.842 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -62.1 -42.0 98.77 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.497 -0.752 . . . . 0.0 111.88 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.62 82.74 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.644 -0.66 . . . . 0.0 112.692 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -32.59 74.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.854 1.206 . . . . 0.0 112.811 174.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -74.68 -38.14 62.49 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.973 0.909 . . . . 0.0 111.334 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -80.82 -1.61 43.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.45 1.5 . . . . 0.0 113.123 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 56.91 24.79 9.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.22 2.208 . . . . 0.0 113.179 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.54 -37.89 49.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.126 1.77 . . . . 0.0 112.423 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.7 m80 52.7 13.61 0.35 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.485 2.314 . . . . 0.0 116.092 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.46 166.3 27.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.807 2.843 . . . . 0.0 109.888 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.0 mm -126.41 141.69 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.351 1.86 . . . . 0.0 108.126 166.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -82.29 -67.08 0.81 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.547 1.139 . . . . 0.0 108.479 168.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -140.39 165.35 27.67 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.375 1.47 . . . . 0.0 113.132 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.33 141.27 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 127.464 2.306 . . . . 0.0 109.75 165.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.93 126.04 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.97 1.708 . . . . 0.0 108.961 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.91 123.97 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.313 1.045 . . . . 0.0 111.958 -167.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.29 118.27 5.04 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.387 1.47 . . . . 0.0 112.175 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -115.93 125.65 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.198 1.399 . . . . 0.0 108.655 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.25 143.57 46.3 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.193 0.425 . . . . 0.0 112.784 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.27 -14.39 60.61 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.454 -1.027 . . . . 0.0 112.815 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -116.45 7.02 13.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.858 2.063 . . . . 0.0 114.052 174.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -69.7 -18.1 63.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 112.71 171.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.89 0.77 0.08 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 129.241 3.017 . . . . 0.0 117.682 171.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 ptp -68.19 154.12 42.36 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.625 1.17 . . . . 0.0 112.326 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -81.16 95.73 6.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.177 0.991 . . . . 0.0 110.877 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -50.62 -38.66 47.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.593 1.557 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 t -62.77 -49.67 74.07 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.971 1.708 . . . . 0.0 112.064 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.71 -47.32 86.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.844 0.858 . . . . 0.0 111.453 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.39 -57.14 11.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.639 1.176 . . . . 0.0 112.724 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.81 -42.7 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -63.09 -33.13 74.78 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.054 0.454 . . . . 0.0 111.754 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.6 71.11 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.385 1.074 . . . . 0.0 110.96 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.59 -53.31 39.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.41 -8.94 57.97 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -82.75 -60.5 2.15 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.546 1.538 . . . . 0.0 111.015 163.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.16 2.06 19.33 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -171.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -28.0 4.76 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.071 1.749 . . . . 0.0 114.117 172.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.16 -18.16 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.147 1.379 . . . . 0.0 114.571 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.99 -25.56 66.37 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.787 172.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -143.97 116.03 8.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.629 1.571 . . . . 0.0 111.754 -171.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.22 -28.34 66.59 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.852 -1.155 . . . . 0.0 113.985 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.02 -25.81 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.114 0.965 . . . . 0.0 112.706 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.4 t -81.67 -26.0 35.09 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.817 2.047 . . . . 0.0 112.979 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -65.34 -10.51 33.56 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.19 -1.94 9.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.081 1.752 . . . . 0.0 113.676 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.68 158.13 31.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.07 1.348 . . . . 0.0 112.972 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.8 mt -131.89 145.07 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.913 1.285 . . . . 0.0 110.044 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tp -116.24 116.94 28.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.822 1.649 . . . . 0.0 111.345 -172.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.38 105.27 15.49 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.572 1.949 . . . . 0.0 112.764 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.17 139.08 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.381 -0.824 . . . . 0.0 111.191 172.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.65 122.67 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 128.246 2.618 . . . . 0.0 109.003 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.65 106.56 6.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.603 1.161 . . . . 0.0 111.064 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -88.58 144.57 26.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.264 1.025 . . . . 0.0 112.521 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 169.13 17.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.649 1.58 . . . . 0.0 112.772 168.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.16 154.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.239 1.815 . . . . 0.0 110.459 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -142.27 134.81 28.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.438 1.095 . . . . 0.0 111.825 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.34 101.72 10.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 128.195 2.598 . . . . 0.0 111.145 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.9 149.33 28.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.404 1.882 . . . . 0.0 112.059 169.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 2.9 t -92.72 151.3 20.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.713 1.205 . . . . 0.0 113.1 174.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -62.25 -72.76 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.199 2.2 . . . . 0.0 114.018 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -113.69 55.44 0.72 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.156 1.783 . . . . 0.0 111.439 -171.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.431 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -138.31 -155.13 0.57 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.651 2.38 . . . . 0.0 110.656 -168.627 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 26.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.755 1.222 . . . . 0.0 112.797 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.423 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 82.2 t60 -146.77 154.43 41.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.268 1.027 . . . . 0.0 113.471 -166.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.07 148.14 25.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 126.608 1.963 . . . . 0.0 110.763 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -142.72 -174.89 4.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.63 1.572 . . . . 0.0 112.248 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -110.95 142.9 27.19 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.345 1.458 . . . . 0.0 111.445 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.08 123.54 10.44 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.007 2.472 . . . . 0.0 112.679 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -138.49 -68.18 0.45 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.536 1.534 . . . . 0.0 111.023 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.36 167.9 17.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.336 1.054 . . . . 0.0 113.24 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.96 -68.56 0.59 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.609 1.564 . . . . 0.0 112.107 178.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.32 -36.64 84.66 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.161 0.984 . . . . 0.0 112.624 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -106.44 24.65 12.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.203 2.601 . . . . 0.0 111.49 172.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.15 29.16 3.95 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 127.823 2.63 . . . . 0.0 114.315 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.6 m -62.78 165.69 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.407 1.483 . . . . 0.0 112.037 168.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.7 t -61.17 166.26 3.82 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.49 1.516 . . . . 0.0 112.692 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' A' ' 81' ' ' HIS . 10.8 pt-20 -89.19 -31.41 17.95 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -93.72 -62.78 1.29 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.954 1.302 . . . . 0.0 111.477 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.3 p -79.37 174.27 11.74 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.871 0.869 . . . . 0.0 110.737 162.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -124.35 46.65 2.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.743 -1.223 . . . . 0.0 113.043 -171.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.2 m -136.9 155.65 49.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.833 1.253 . . . . 0.0 111.618 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -87.7 14.94 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.395 1.878 . . . . 0.0 114.121 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -66.92 -1.49 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.462 1.905 . . . . 0.0 115.81 -172.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -58.52 152.46 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.938 1.295 . . . . 0.0 113.311 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 154.15 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.251 1.821 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mp -75.88 109.31 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.464 1.106 . . . . 0.0 108.629 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.1 t -91.34 -12.46 34.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.576 0.75 . . . . 0.0 112.022 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -160.01 131.72 6.1 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.619 1.968 . . . . 0.0 108.493 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.39 -11.16 39.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.791 1.186 . . . . 0.0 115.341 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -66.82 -33.82 76.46 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.568 1.547 . . . . 0.0 112.352 175.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -138.09 158.09 45.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.369 2.268 . . . . 0.0 110.8 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -78.9 168.62 19.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.377 1.071 . . . . 0.0 113.275 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -154.84 159.43 40.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.374 1.869 . . . . 0.0 112.868 171.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.42 152.72 41.82 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.214 -0.928 . . . . 0.0 110.179 163.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.9 mt -115.55 -55.72 2.41 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.048 1.339 . . . . 0.0 111.699 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 t -159.18 169.83 23.28 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.227 1.011 . . . . 0.0 112.259 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 167.34 14.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.428 1.491 . . . . 0.0 110.823 170.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -132.58 139.69 47.92 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.936 1.694 . . . . 0.0 110.311 170.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.4 mtt -134.96 123.0 22.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.847 2.059 . . . . 0.0 109.542 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.8 mt -137.53 157.65 46.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.89 1.276 . . . . 0.0 112.648 -175.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.98 -13.25 48.16 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.391 1.476 . . . . 0.0 114.26 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.473 0.705 0 C-N-CA 125.3 1.44 . . . . 0.0 112.495 -170.471 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.096 -0.402 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -63.86 -29.92 71.06 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -173.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.6 ttt 57.97 12.69 1.86 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.359 2.264 . . . . 0.0 116.073 172.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -62.6 -21.47 65.66 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.506 -1.371 . . . . 0.0 114.536 -172.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.59 -24.7 61.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.286 1.434 . . . . 0.0 114.332 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.81 -6.54 48.65 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -61.95 -53.84 50.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.851 0.861 . . . . 0.0 111.15 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.83 -41.92 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.291 1.036 . . . . 0.0 112.547 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.28 -61.5 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.472 1.909 . . . . 0.0 111.516 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.7 t -53.77 -42.23 68.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.612 1.165 . . . . 0.0 111.842 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -58.95 -53.96 52.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.374 1.07 . . . . 0.0 112.258 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.64 -53.62 52.3 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.924 0.889 . . . . 0.0 111.588 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.5 mt -55.83 -48.92 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.082 1.353 . . . . 0.0 110.938 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.11 -48.22 82.66 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.02 -53.72 54.48 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.231 1.012 . . . . 0.0 112.128 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -68.08 -32.59 73.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -177.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -58.75 -46.3 87.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.295 0.952 . . . . 0.0 111.346 167.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.58 -44.3 94.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.435 0.694 . . . . 0.0 111.816 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -61.71 -41.82 98.12 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.394 -0.816 . . . . 0.0 112.12 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.83 -48.74 75.57 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.586 -0.696 . . . . 0.0 112.319 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -63.82 -32.24 73.69 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.279 0.945 . . . . 0.0 112.977 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -71.59 -39.92 70.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.566 1.146 . . . . 0.0 111.179 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -82.88 -0.47 48.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.779 1.231 . . . . 0.0 113.245 172.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 57.57 27.57 14.33 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.895 2.078 . . . . 0.0 112.829 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.86 64.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.723 1.209 . . . . 0.0 113.308 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 56.23 2.25 0.08 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.025 2.53 . . . . 0.0 116.509 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -157.65 176.54 12.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.762 2.425 . . . . 0.0 111.294 165.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.33 141.46 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.098 1.759 . . . . 0.0 109.215 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.83 -49.7 7.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 110.353 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -152.1 158.29 42.77 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.059 1.344 . . . . 0.0 114.205 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -124.96 134.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 128.42 2.688 . . . . 0.0 109.216 157.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.38 123.02 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.011 1.724 . . . . 0.0 108.069 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.03 152.92 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.33 1.452 . . . . 0.0 110.573 -171.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -118.68 134.66 11.01 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.636 1.113 . . . . 0.0 111.585 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.0 mt -132.49 123.82 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.704 1.602 . . . . 0.0 108.728 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.18 146.0 50.04 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.213 0.435 . . . . 0.0 112.938 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.21 -11.25 58.97 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.225 -1.162 . . . . 0.0 112.906 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -112.75 3.12 16.32 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.424 1.89 . . . . 0.0 114.37 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 m -69.76 -18.37 63.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.941 0.896 . . . . 0.0 113.22 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.85 16.7 2.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 127.39 2.276 . . . . 0.0 116.097 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.5 mtt -71.27 135.06 47.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.161 1.384 . . . . 0.0 111.089 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -76.96 95.49 4.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.645 0.778 . . . . 0.0 109.949 171.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -56.0 -35.49 66.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -48.65 80.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.445 1.498 . . . . 0.0 111.734 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.85 -49.04 79.09 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.31 1.044 . . . . 0.0 111.705 175.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -58.67 -53.17 61.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.612 0.765 . . . . 0.0 112.955 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.06 -40.14 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.91 1.232 . . . . 0.0 113.1 174.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -63.57 -30.44 71.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.391 0.542 . . . . 0.0 111.852 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.73 70.15 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.932 173.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -55.83 -49.81 72.26 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.528 -0.732 . . . . 0.0 112.369 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.8 -23.59 67.32 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.333 1.453 . . . . 0.0 113.644 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.2 m -74.67 -60.54 2.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.871 1.268 . . . . 0.0 111.088 169.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.22 -8.53 56.86 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -48.6 -30.05 4.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.565 1.546 . . . . 0.0 114.056 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.6 -27.89 59.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.53 2.332 . . . . 0.0 114.21 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.18 -14.67 56.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.361 1.464 . . . . 0.0 113.638 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 m -135.38 169.07 18.05 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.236 1.814 . . . . 0.0 110.917 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -82.82 -48.26 10.98 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.826 -1.171 . . . . 0.0 111.438 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m -66.79 -25.37 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.632 1.573 . . . . 0.0 113.745 -169.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.67 -26.0 59.55 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.897 1.279 . . . . 0.0 113.263 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.08 -21.94 64.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -165.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.77 7.73 10.5 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.4 1.88 . . . . 0.0 113.857 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.08 164.86 21.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.577 1.151 . . . . 0.0 112.715 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.8 mm -125.86 139.59 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.955 1.702 . . . . 0.0 109.673 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.84 108.27 16.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.125 1.37 . . . . 0.0 111.003 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.37 115.15 29.97 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.835 1.654 . . . . 0.0 112.59 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.5 mt -104.68 101.24 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.982 1.713 . . . . 0.0 111.487 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -74.67 122.46 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 111.432 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.28 103.44 2.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.06 1.344 . . . . 0.0 110.818 168.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -99.51 144.95 28.01 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.972 1.709 . . . . 0.0 111.943 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -74.7 169.86 16.99 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.955 -1.091 . . . . 0.0 113.155 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 m -123.06 158.27 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.095 1.358 . . . . 0.0 112.935 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -154.58 143.51 20.96 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.4 1.08 . . . . 0.0 111.3 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.32 103.5 10.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.776 2.03 . . . . 0.0 110.506 -174.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -81.39 152.37 27.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.94 0.896 . . . . 0.0 112.788 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.427 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.1 t -78.67 155.04 29.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.655 0.782 . . . . 0.0 111.443 165.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -62.9 -63.0 1.34 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.362 1.865 . . . . 0.0 114.424 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.66 58.13 1.58 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.706 1.602 . . . . 0.0 111.172 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.17 -155.59 0.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.771 2.028 . . . . 0.0 111.337 -163.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -146.78 25.7 1.16 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.79 1.236 . . . . 0.0 112.946 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -140.46 149.66 42.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.851 1.261 . . . . 0.0 112.707 -172.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.34 152.29 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 126.57 1.948 . . . . 0.0 110.544 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.97 -178.59 6.01 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.828 1.251 . . . . 0.0 112.969 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -99.55 141.4 22.75 Favored Pre-proline 0 N--CA 1.48 1.056 0 C-N-CA 125.311 1.444 . . . . 0.0 112.195 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.98 120.88 7.37 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.978 2.452 . . . . 0.0 111.729 -174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -143.67 -65.47 0.37 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.863 1.265 . . . . 0.0 112.01 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.4 167.66 16.1 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.554 1.142 . . . . 0.0 113.116 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.36 -69.29 0.7 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.482 1.513 . . . . 0.0 111.738 177.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -67.84 -41.72 82.53 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.828 0.851 . . . . 0.0 111.98 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -98.67 29.55 3.67 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.422 2.289 . . . . 0.0 112.065 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.54 24.93 4.05 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 127.081 2.277 . . . . 0.0 114.715 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 m -64.79 156.38 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.89 1.676 . . . . 0.0 112.679 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.4 t -69.24 148.82 49.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.318 1.447 . . . . 0.0 111.892 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -69.8 -33.4 72.3 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.526 -0.734 . . . . 0.0 112.513 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -81.97 -56.62 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.691 1.196 . . . . 0.0 112.372 173.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -112.91 128.49 56.48 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.381 1.472 . . . . 0.0 111.435 -173.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -80.14 56.29 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.434 -1.416 . . . . 0.0 113.578 -168.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.8 m -136.25 149.43 48.51 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.087 2.155 . . . . 0.0 109.914 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -105.91 26.0 10.2 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.584 1.553 . . . . 0.0 113.291 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.83 1.1 2.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.684 2.794 . . . . 0.0 115.726 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.71 149.67 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 114.004 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.95 154.2 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.738 1.615 . . . . 0.0 112.14 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.9 mt -78.27 108.11 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.207 1.003 . . . . 0.0 108.937 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -86.85 -9.53 55.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.591 1.157 . . . . 0.0 112.677 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -157.66 126.5 5.72 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.035 2.134 . . . . 0.0 107.83 -169.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.14 18.08 78.87 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.72 -38.32 81.33 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.368 1.467 . . . . 0.0 111.788 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.4 166.77 27.11 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.716 1.606 . . . . 0.0 112.365 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.63 150.74 45.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.185 1.394 . . . . 0.0 112.583 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -154.9 154.88 33.34 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.697 1.599 . . . . 0.0 112.01 172.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.8 pp -63.9 152.42 39.85 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 122.111 -0.368 . . . . 0.0 111.133 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.8 mt -113.99 -57.8 2.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.718 1.207 . . . . 0.0 110.478 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.9 m -151.72 164.2 37.49 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.926 1.69 . . . . 0.0 111.46 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.4 mt -115.99 170.3 8.59 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.978 0.911 . . . . 0.0 110.628 161.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -140.54 122.21 15.28 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.35 1.86 . . . . 0.0 108.316 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 18.8 ptp -135.13 111.59 9.83 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.155 -0.966 . . . . 0.0 110.998 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.03 159.69 33.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.985 1.314 . . . . 0.0 112.319 -175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -140.79 -68.77 0.4 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.648 1.179 . . . . 0.0 112.138 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 124.838 1.255 . . . . 0.0 111.77 -179.096 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -66.22 93.83 0.23 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.752 1.621 . . . . 0.0 113.071 -177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.67 174.2 4.48 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.303 1.441 . . . . 0.0 113.055 172.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -129.28 -69.67 0.69 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.259 1.423 . . . . 0.0 111.229 171.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.47 -33.51 74.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -85.54 -3.67 58.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.58 1.152 . . . . 0.0 114.052 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.0 m -62.36 -33.74 75.33 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 t -68.19 -52.23 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.151 0.887 . . . . 0.0 110.173 167.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.59 -62.61 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.805 1.642 . . . . 0.0 111.149 -167.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m -59.37 -35.0 73.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.069 1.348 . . . . 0.0 112.86 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 t -63.28 -43.28 98.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.229 0.612 . . . . 0.0 111.536 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.24 -41.58 97.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.759 0.824 . . . . 0.0 112.906 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.91 -50.84 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 118.52 0.6 . . . . 0.0 110.527 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.84 89.42 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.017 0.927 . . . . 0.0 112.738 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.74 -49.96 75.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.458 1.503 . . . . 0.0 111.376 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.65 -40.09 95.97 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -58.0 -45.94 86.02 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.292 -0.88 . . . . 0.0 111.457 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.11 -47.92 82.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.267 1.427 . . . . 0.0 111.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.469 ' HE1' HD12 ' A' ' 28' ' ' ILE . 1.2 p80 -64.06 -33.35 75.56 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.906 -1.121 . . . . 0.0 112.827 177.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.75 64.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -176.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -79.72 -31.6 41.15 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.384 0.993 . . . . 0.0 113.054 167.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -73.72 -44.36 56.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.35 1.06 . . . . 0.0 111.323 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -84.18 -5.18 59.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.692 1.597 . . . . 0.0 113.091 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 55.22 30.71 15.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 112.685 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.1 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.956 1.702 . . . . 0.0 112.613 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.2 m170 53.57 3.52 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 128.482 2.713 . . . . 0.0 117.295 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -144.87 166.21 25.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.289 2.636 . . . . 0.0 110.119 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.469 HD12 ' HE1' ' A' ' 19' ' ' HIS . 25.2 mm -115.28 156.85 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.689 1.595 . . . . 0.0 110.518 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -114.76 -49.41 2.81 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.354 1.461 . . . . 0.0 110.813 164.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -149.61 162.89 39.31 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.28 147.09 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.648 1.579 . . . . 0.0 109.874 155.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -126.38 108.39 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.191 1.797 . . . . 0.0 108.714 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.2 p -97.97 141.57 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.148 0.979 . . . . 0.0 111.729 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.6 120.41 6.71 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.558 2.028 . . . . 0.0 111.053 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -126.46 127.1 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.17 144.23 48.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.46 0.552 . . . . 0.0 112.384 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -78.47 -3.34 42.98 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.105 -1.233 . . . . 0.0 112.849 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -113.21 -5.72 13.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.267 2.627 . . . . 0.0 113.554 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -72.25 -14.47 61.78 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.31 -1.54 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.208 2.603 . . . . 0.0 117.19 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.84 112.76 5.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.536 1.534 . . . . 0.0 110.462 171.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -62.21 108.52 1.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.546 1.138 . . . . 0.0 112.717 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -53.03 -36.02 60.09 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.496 1.518 . . . . 0.0 114.14 173.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -66.01 -42.76 89.28 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.519 1.127 . . . . 0.0 111.306 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.22 -53.02 62.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.094 0.958 . . . . 0.0 110.352 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -54.54 -54.97 34.07 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.95 -42.48 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.587 -0.696 . . . . 0.0 112.682 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -61.15 -34.11 74.49 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.64 75.26 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.72 0.808 . . . . 0.0 111.818 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -58.4 -44.98 89.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.219 1.007 . . . . 0.0 112.356 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.47 -25.07 68.09 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.272 1.429 . . . . 0.0 113.615 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.5 m -74.61 -59.58 2.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.839 0.856 . . . . 0.0 111.129 164.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -14.1 62.41 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -168.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -53.15 -23.9 9.31 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.658 1.583 . . . . 0.0 114.956 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.23 -23.66 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.914 1.685 . . . . 0.0 113.738 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.1 -25.6 66.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.013 0.925 . . . . 0.0 112.917 172.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -85.24 177.46 7.84 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.659 1.584 . . . . 0.0 112.623 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.37 -42.37 6.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.497 1.119 . . . . 0.0 111.384 154.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -77.79 -33.32 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.112 1.365 . . . . 0.0 112.191 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -76.87 -15.53 59.67 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.566 0.746 . . . . 0.0 112.526 -169.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.28 88.56 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.772 0.715 . . . . 0.0 112.564 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -95.64 73.99 3.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.009 1.324 . . . . 0.0 110.298 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.98 165.74 26.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.801 1.64 . . . . 0.0 112.098 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mm -135.74 142.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.301 1.841 . . . . 0.0 108.684 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tp -115.58 107.9 15.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.477 1.911 . . . . 0.0 109.646 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -91.67 144.88 25.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.915 1.286 . . . . 0.0 111.884 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.9 mm -104.78 142.45 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.275 1.43 . . . . 0.0 110.758 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.97 120.87 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.791 2.036 . . . . 0.0 109.592 171.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.33 100.0 3.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.762 1.225 . . . . 0.0 110.67 172.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.99 142.27 49.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.677 0.791 . . . . 0.0 111.597 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -63.45 156.96 24.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.296 0.638 . . . . 0.0 110.727 166.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.39 154.96 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.86 143.78 26.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.507 1.123 . . . . 0.0 110.132 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.66 111.37 17.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.189 1.796 . . . . 0.0 111.645 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.3 155.03 28.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.042 0.937 . . . . 0.0 112.795 166.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.1 t -80.49 158.6 25.81 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.877 0.871 . . . . 0.0 111.657 165.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -64.13 -65.32 0.69 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.659 1.983 . . . . 0.0 114.103 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -127.11 59.58 1.41 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.743 1.617 . . . . 0.0 111.019 -168.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.86 -157.91 0.83 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.046 2.139 . . . . 0.0 111.313 -164.183 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t -147.48 33.35 0.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.613 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -145.85 150.42 36.12 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.443 1.097 . . . . 0.0 113.066 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.62 150.42 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 126.469 1.908 . . . . 0.0 110.967 172.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.32 175.05 11.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.328 1.451 . . . . 0.0 112.482 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 143.54 26.8 Favored Pre-proline 0 N--CA 1.48 1.029 0 C-N-CA 124.537 1.135 . . . . 0.0 112.748 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.88 118.61 5.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.921 3.081 . . . . 0.0 112.223 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -141.44 -61.49 0.47 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.192 1.397 . . . . 0.0 112.411 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.37 157.93 30.59 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.013 0.925 . . . . 0.0 112.842 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -131.59 -40.02 1.11 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.38 -30.68 60.22 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.675 1.125 . . . . 0.0 112.417 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -103.44 -87.63 0.42 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.743 1.617 . . . . 0.0 110.545 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.82 10.39 58.38 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.512 0.965 . . . . 0.0 115.512 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.79 158.42 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.512 1.156 . . . . 0.0 112.519 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.75 147.61 53.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.33 1.052 . . . . 0.0 111.559 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.02 -43.7 86.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.778 0.831 . . . . 0.0 111.913 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -73.56 -56.17 5.37 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 p -114.36 124.12 51.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 111.82 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -79.21 60.1 2.96 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.366 -1.459 . . . . 0.0 113.588 -168.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.7 m -136.86 153.82 50.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.109 2.164 . . . . 0.0 110.773 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -97.45 14.06 27.66 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.711 1.604 . . . . 0.0 113.68 -172.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.18 -2.52 5.87 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.675 2.39 . . . . 0.0 116.353 -172.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.51 151.32 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.896 1.678 . . . . 0.0 113.92 -174.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.21 153.54 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.584 1.554 . . . . 0.0 112.453 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.73 115.85 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.143 1.377 . . . . 0.0 108.522 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -97.39 -8.11 30.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.968 1.307 . . . . 0.0 112.663 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.14 127.11 6.27 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.38 1.872 . . . . 0.0 108.891 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.77 18.21 77.59 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.433 1.016 . . . . 0.0 114.571 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.574 1.55 . . . . 0.0 112.783 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.96 156.83 45.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.317 1.847 . . . . 0.0 111.263 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.0 ptm -79.84 150.05 30.8 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.494 0.718 . . . . 0.0 112.352 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 mtp-105 -150.43 165.74 32.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.575 1.95 . . . . 0.0 110.487 171.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.62 158.64 9.69 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.295 -0.878 . . . . 0.0 112.729 162.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.91 -53.66 2.27 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.865 1.666 . . . . 0.0 111.265 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.4 p -149.47 162.44 40.13 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.991 1.316 . . . . 0.0 111.949 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.18 157.16 46.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.945 1.298 . . . . 0.0 110.116 175.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -139.72 144.75 37.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 111.62 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -125.86 168.22 14.15 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.091 1.756 . . . . 0.0 111.177 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 pp -125.8 163.19 23.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.968 1.307 . . . . 0.0 113.008 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -153.47 -58.21 0.13 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.332 1.453 . . . . 0.0 111.83 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 125.11 1.364 . . . . 0.0 112.498 178.132 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 p -142.61 149.64 39.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.193 1.397 . . . . 0.0 112.194 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -81.01 63.02 5.22 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.539 1.536 . . . . 0.0 112.296 -172.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -129.9 -61.16 1.0 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.439 1.896 . . . . 0.0 110.558 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.52 -27.89 67.97 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -75.98 -2.99 33.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -58.94 -61.18 2.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -55.49 -42.39 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.161 0.985 . . . . 0.0 112.434 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.9 t -57.51 -66.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 127.999 2.519 . . . . 0.0 111.746 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.6 t -52.39 -44.74 65.5 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.832 1.253 . . . . 0.0 112.162 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 m -59.77 -48.35 82.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.455 0.702 . . . . 0.0 112.812 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.86 -51.77 68.6 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.023 0.829 . . . . 0.0 112.738 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.56 -45.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.78 0.832 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.6 56.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.797 . . . . 0.0 112.419 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.87 -52.36 64.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.113 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.34 -35.52 80.57 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -58.0 -48.36 80.27 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.338 0.972 . . . . 0.0 111.38 168.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -65.47 -41.98 92.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.054 0.942 . . . . 0.0 112.296 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.28 -42.93 99.15 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.393 -0.817 . . . . 0.0 111.677 173.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.76 75.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.637 0.653 . . . . 0.0 112.177 -176.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -63.56 -34.23 77.35 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.01 -40.93 62.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.606 1.162 . . . . 0.0 111.318 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.54 -5.14 51.89 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.756 1.622 . . . . 0.0 113.152 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.2 31.36 18.22 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.801 2.041 . . . . 0.0 112.256 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -42.93 67.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.021 1.329 . . . . 0.0 112.307 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 48.42 26.82 1.23 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.473 1.909 . . . . 0.0 114.503 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -160.66 159.46 30.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 127.016 2.127 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.9 mt -134.99 142.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.377 1.871 . . . . 0.0 108.392 168.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -94.26 -65.32 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.073 1.349 . . . . 0.0 109.225 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -139.71 162.69 34.51 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.961 1.304 . . . . 0.0 113.432 172.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.42 127.68 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.931 1.693 . . . . 0.0 110.028 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 t -99.49 121.74 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.384 1.473 . . . . 0.0 110.393 -167.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 t -132.01 123.52 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.355 1.062 . . . . 0.0 111.329 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.34 120.56 5.91 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 126.229 1.871 . . . . 0.0 112.463 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mt -116.4 125.47 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.978 1.711 . . . . 0.0 108.526 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.39 141.22 46.87 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.704 0.668 . . . . 0.0 112.928 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.42 -15.6 63.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.323 -1.104 . . . . 0.0 113.269 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -106.28 2.28 26.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 114.13 173.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.0 t -63.46 -37.91 89.12 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.51 1.124 . . . . 0.0 112.45 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.06 10.36 0.59 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.341 2.257 . . . . 0.0 115.732 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.93 144.26 57.4 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.176 -0.952 . . . . 0.0 111.59 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.08 93.09 2.23 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.902 1.281 . . . . 0.0 111.528 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -53.11 -28.53 25.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.37 1.868 . . . . 0.0 114.616 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -57.8 -39.55 77.79 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.308 1.843 . . . . 0.0 112.854 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.67 -46.88 71.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.724 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CE2' HD21 ' A' ' 65' ' ' LEU . 21.3 t80 -58.39 -52.83 63.98 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.271 0.357 . . . . 0.0 111.495 -172.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -44.09 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -63.89 -34.15 77.31 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.773 0.32 . . . . 0.0 111.45 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.97 62.01 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.177 -0.952 . . . . 0.0 111.721 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.25 -54.98 24.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.742 1.217 . . . . 0.0 111.18 171.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -27.3 60.99 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.9 m -56.07 -41.82 75.71 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.075 1.307 . . . . 0.0 112.168 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.24 17.06 4.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.162 . . . . 0.0 113.763 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -31.96 16.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.866 1.212 . . . . 0.0 113.391 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.85 -18.69 60.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.107 1.763 . . . . 0.0 114.218 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.26 -21.02 63.02 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.715 1.206 . . . . 0.0 113.655 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -146.0 128.77 16.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.954 1.301 . . . . 0.0 111.877 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.47 -32.29 68.62 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.15 -22.7 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.5 t -74.7 -24.16 58.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.004 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -60.14 -14.71 18.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.345 1.458 . . . . 0.0 114.772 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -111.48 -7.27 14.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.168 1.387 . . . . 0.0 113.959 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.03 148.29 46.0 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.024 0.93 . . . . 0.0 112.633 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.4 mt -130.84 150.09 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.16 1.784 . . . . 0.0 108.882 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD21 ' CE2' ' A' ' 46' ' ' PHE . 14.0 tp -85.83 139.76 31.0 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.219 -0.926 . . . . 0.0 111.539 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -116.83 88.77 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.258 1.423 . . . . 0.0 110.361 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.9 mt -71.81 117.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.767 1.627 . . . . 0.0 110.076 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.1 t -106.62 124.61 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.976 1.71 . . . . 0.0 110.084 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -71.69 93.46 1.27 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.389 1.476 . . . . 0.0 111.302 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -75.19 138.84 42.24 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.891 1.276 . . . . 0.0 111.788 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.75 161.92 19.76 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.673 -0.642 . . . . 0.0 111.051 168.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.07 152.77 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.929 1.291 . . . . 0.0 111.822 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -151.59 144.46 24.44 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.32 97.02 5.22 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.1 2.16 . . . . 0.0 111.583 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 82' ' ' VAL . 10.7 mt-10 -68.87 154.11 42.6 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.352 1.461 . . . . 0.0 112.021 165.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 6.1 t -79.92 163.09 24.59 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.685 0.755 . . . . 0.0 111.573 161.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.99 -69.38 0.31 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.218 1.807 . . . . 0.0 114.355 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.63 58.88 1.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.696 1.598 . . . . 0.0 110.977 -167.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.8 OUTLIER -140.88 -155.4 0.58 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.483 1.913 . . . . 0.0 111.85 -160.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -152.49 61.65 0.81 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.525 1.13 . . . . 0.0 110.387 163.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -152.93 154.51 35.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.297 1.039 . . . . 0.0 113.134 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 1.2 p -152.69 140.27 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 127.302 2.241 . . . . 0.0 110.705 171.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -173.25 3.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.17 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -93.59 153.06 41.29 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.399 1.08 . . . . 0.0 111.325 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.46 -175.64 2.79 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.31 2.673 . . . . 0.0 112.334 174.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 58.02 81.83 0.14 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.451 2.3 . . . . 0.0 113.181 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -147.87 162.18 39.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.306 169.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 pp -113.4 -25.96 8.56 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.03 -13.81 17.39 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.323 1.049 . . . . 0.0 113.134 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.44 52.17 1.75 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.212 1.805 . . . . 0.0 112.209 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.4 -35.0 68.64 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.322 -0.861 . . . . 0.0 113.05 173.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.7 m -75.12 162.87 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.656 1.582 . . . . 0.0 112.505 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.52 135.14 57.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.2 1.0 . . . . 0.0 109.564 165.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.18 -25.03 65.05 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.347 -0.846 . . . . 0.0 113.082 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -85.66 -56.97 3.24 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.626 1.17 . . . . 0.0 112.274 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.9 p -113.08 114.16 26.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.318 1.447 . . . . 0.0 111.419 -176.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -76.56 68.41 2.85 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -162.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.0 m -140.61 155.2 46.62 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.599 2.359 . . . . 0.0 110.196 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -92.3 19.87 6.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.19 1.396 . . . . 0.0 113.515 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.08 -3.1 11.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.796 2.038 . . . . 0.0 115.708 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -52.35 144.92 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.288 1.435 . . . . 0.0 113.267 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.69 149.79 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.498 1.519 . . . . 0.0 112.713 -178.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.81 103.13 5.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.164 1.385 . . . . 0.0 108.071 -173.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.3 t -88.76 -9.14 52.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.585 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -151.98 117.62 5.39 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.678 1.991 . . . . 0.0 108.163 -168.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.84 78.1 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 115.95 1.14 . . . . 0.0 115.95 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.91 -34.64 76.43 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.932 1.366 . . . . 0.0 112.379 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -134.76 157.37 46.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.664 1.986 . . . . 0.0 109.937 169.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.4 ptm -75.03 151.71 38.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 112.446 171.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -150.32 157.62 43.26 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.685 1.594 . . . . 0.0 111.828 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.85 156.86 8.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.799 165.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.28 -50.58 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.706 1.603 . . . . 0.0 112.052 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 t -160.3 179.24 8.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.607 1.563 . . . . 0.0 111.337 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.73 165.25 27.77 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.408 1.483 . . . . 0.0 110.7 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.62 122.34 25.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.49 1.516 . . . . 0.0 109.633 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 77.9 mtm -126.2 100.52 6.35 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.875 1.67 . . . . 0.0 110.111 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.93 101.6 0.06 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.146 1.778 . . . . 0.0 112.812 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.84 -17.81 62.11 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.039 1.336 . . . . 0.0 113.951 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.471 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 111.697 179.744 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 p -73.93 -21.68 59.95 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -62.33 120.33 10.8 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.366 1.466 . . . . 0.0 111.46 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -54.59 -35.56 63.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.277 1.031 . . . . 0.0 113.266 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.06 -27.72 61.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.259 1.824 . . . . 0.0 113.778 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.92 -14.26 14.6 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.941 1.297 . . . . 0.0 113.702 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -58.09 -51.23 70.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.332 1.053 . . . . 0.0 111.148 170.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -54.57 -47.49 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.032 0.933 . . . . 0.0 112.153 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.84 -62.34 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 127.026 2.131 . . . . 0.0 111.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -57.96 -39.0 77.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.967 1.307 . . . . 0.0 112.236 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 t -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.795 0.838 . . . . 0.0 111.6 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.76 -46.75 88.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.945 0.898 . . . . 0.0 112.768 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.91 -50.49 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.026 1.33 . . . . 0.0 111.544 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.14 83.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.145 0.978 . . . . 0.0 112.933 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -59.81 -50.44 73.78 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.966 1.306 . . . . 0.0 111.964 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 t -63.46 -40.08 96.17 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.544 0.611 . . . . 0.0 112.472 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -55.35 -52.56 63.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.992 0.917 . . . . 0.0 112.491 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.88 -45.53 89.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.761 0.824 . . . . 0.0 112.803 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -61.14 -43.2 99.25 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.386 -0.821 . . . . 0.0 111.766 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.29 73.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.726 -0.609 . . . . 0.0 112.37 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -64.29 -31.94 73.34 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.228 0.922 . . . . 0.0 113.125 175.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -72.95 -37.85 66.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.293 1.037 . . . . 0.0 111.173 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.08 -1.47 44.36 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.84 1.656 . . . . 0.0 113.134 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 57.04 25.19 10.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.341 2.256 . . . . 0.0 113.232 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.08 48.98 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.709 1.604 . . . . 0.0 112.778 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.2 m80 54.93 6.39 0.13 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 127.887 2.475 . . . . 0.0 117.139 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -145.8 166.24 26.5 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 128.271 2.628 . . . . 0.0 110.068 162.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.7 mt -107.48 155.89 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.961 1.704 . . . . 0.0 108.346 170.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -95.36 -60.43 1.67 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.862 -1.149 . . . . 0.0 109.403 159.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -152.34 162.31 41.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 112.846 174.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.16 153.05 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 126.463 1.905 . . . . 0.0 108.884 163.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.3 t -128.67 123.55 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.897 1.279 . . . . 0.0 109.046 -174.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 p -113.38 149.55 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.678 1.191 . . . . 0.0 111.202 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.69 99.18 0.84 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 126.471 1.986 . . . . 0.0 109.784 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mt -95.64 127.18 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.295 1.038 . . . . 0.0 109.371 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.48 136.62 44.83 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 122.326 0.959 . . . . 0.0 113.232 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -23.65 64.58 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.183 2.193 . . . . 0.0 114.398 174.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -112.19 2.13 16.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.116 1.766 . . . . 0.0 113.738 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.5 m -65.51 -28.52 69.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.238 1.015 . . . . 0.0 113.276 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.87 7.05 0.25 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.713 2.405 . . . . 0.0 116.49 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.9 mtm -71.65 130.12 40.38 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.308 . . . . 0.0 110.678 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -65.26 102.27 0.64 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.698 1.199 . . . . 0.0 111.91 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -55.2 -35.85 65.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.539 1.135 . . . . 0.0 113.529 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -62.25 -44.13 97.25 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.7 1.6 . . . . 0.0 111.613 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -54.12 49.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.154 0.982 . . . . 0.0 110.262 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -55.05 -52.62 62.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.65 0.78 . . . . 0.0 113.103 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.39 -40.68 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.095 -1.003 . . . . 0.0 113.447 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -62.63 -33.68 75.51 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.886 0.312 . . . . 0.0 111.563 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.73 68.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.963 0.905 . . . . 0.0 111.695 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.81 -45.69 70.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.731 0.812 . . . . 0.0 112.501 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.78 -53.24 60.29 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.46 1.104 . . . . 0.0 112.027 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.3 m -50.56 -45.55 57.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.285 1.034 . . . . 0.0 112.16 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -87.63 18.93 3.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.13 -29.41 9.03 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.573 1.078 . . . . 0.0 113.904 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.56 -15.15 57.38 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.131 2.172 . . . . 0.0 114.716 -178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.32 -14.02 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.283 -0.886 . . . . 0.0 113.153 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -130.92 174.73 9.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.935 2.494 . . . . 0.0 109.644 168.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tp -99.91 -34.14 10.24 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.906 -1.121 . . . . 0.0 113.039 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.05 -21.82 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.89 0.876 . . . . 0.0 112.739 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.3 m -75.6 -12.19 60.16 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.502 1.121 . . . . 0.0 112.704 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.51 66.56 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.4 84.23 2.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.043 1.737 . . . . 0.0 109.937 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.48 166.36 30.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 112.686 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.9 mt -131.48 147.85 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 127.316 2.247 . . . . 0.0 108.02 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tp -122.44 102.02 7.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.72 1.208 . . . . 0.0 110.109 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.52 133.57 34.45 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.355 1.862 . . . . 0.0 112.095 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.3 105.03 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.756 1.222 . . . . 0.0 111.026 -172.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.1 t -80.23 122.83 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.037 1.335 . . . . 0.0 109.825 167.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.44 109.16 5.94 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 110.478 163.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.9 174.83 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.88 143.98 48.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.591 1.956 . . . . 0.0 110.617 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.23 156.75 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.356 1.062 . . . . 0.0 113.431 -172.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -158.01 136.02 10.75 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.151 1.38 . . . . 0.0 111.602 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -124.0 109.26 13.32 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.073 1.749 . . . . 0.0 110.8 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.95 150.73 27.54 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.946 0.898 . . . . 0.0 112.673 172.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 4.6 t -78.83 156.69 28.6 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 121.907 0.86 . . . . 0.0 111.416 167.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -62.39 -65.9 0.62 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.777 2.031 . . . . 0.0 114.791 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.52 60.2 1.58 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.462 1.505 . . . . 0.0 111.013 -170.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 3.1 t -136.21 -150.77 0.38 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.614 1.966 . . . . 0.0 111.736 -161.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 t -146.1 17.75 1.39 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.99 1.316 . . . . 0.0 113.123 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -140.09 150.81 44.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.475 1.11 . . . . 0.0 113.659 -166.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.52 149.73 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.955 2.102 . . . . 0.0 110.514 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -145.82 176.91 9.31 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -104.87 121.41 46.82 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 126.141 1.776 . . . . 0.0 111.12 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -62.68 110.96 1.21 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.46 3.44 . . . . 0.0 112.472 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -134.72 -63.3 0.71 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.823 1.649 . . . . 0.0 111.379 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 125.63 25.18 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.78 1.232 . . . . 0.0 112.673 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.694 ' H ' HD23 ' A' ' 88' ' ' LEU . 1.9 pt? -81.48 -54.18 5.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.766 1.226 . . . . 0.0 112.647 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.5 -24.96 56.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.351 1.06 . . . . 0.0 113.542 -173.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -129.43 27.06 5.34 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.85 1.66 . . . . 0.0 113.402 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.1 16.04 1.22 Allowed Glycine 0 CA--C 1.54 1.647 0 C-N-CA 126.399 1.952 . . . . 0.0 116.234 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 m -62.55 173.69 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.501 1.92 . . . . 0.0 112.327 168.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.82 158.15 6.71 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.819 0.818 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.0 -41.8 63.92 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.416 -0.802 . . . . 0.0 110.831 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -84.55 -60.02 2.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.586 1.154 . . . . 0.0 112.541 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -72.14 179.06 3.48 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.448 1.499 . . . . 0.0 110.65 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -124.12 34.2 5.1 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.904 -1.122 . . . . 0.0 112.801 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m -131.45 156.21 46.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.817 1.247 . . . . 0.0 111.346 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -90.89 30.19 1.24 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.183 1.793 . . . . 0.0 112.182 174.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.23 -7.28 29.09 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.317 1.847 . . . . 0.0 114.628 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.84 154.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.976 1.71 . . . . 0.0 113.619 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.24 153.7 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.727 1.611 . . . . 0.0 111.623 173.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 103' ' ' ILE . 4.6 mp -69.36 119.93 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 125.071 1.348 . . . . 0.0 108.096 177.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -102.81 -11.71 18.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.007 0.923 . . . . 0.0 111.411 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -159.42 132.6 7.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.371 1.868 . . . . 0.0 108.856 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.35 -14.43 39.54 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.374 0.988 . . . . 0.0 114.569 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.82 -47.5 71.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.446 1.898 . . . . 0.0 112.803 171.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -132.85 156.02 47.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.079 1.351 . . . . 0.0 112.494 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.5 ptm -77.52 157.17 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.055 1.342 . . . . 0.0 113.055 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -145.11 159.49 42.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.353 1.861 . . . . 0.0 110.852 167.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.91 150.93 47.83 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.823 -0.548 . . . . 0.0 110.649 160.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.54 -41.44 2.7 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.513 1.525 . . . . 0.0 112.487 -174.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.8 m -162.89 167.57 22.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 110.953 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 mt -132.27 158.77 40.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.243 1.417 . . . . 0.0 109.254 165.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -140.69 145.61 36.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.343 1.057 . . . . 0.0 111.663 172.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.3 mtt -124.87 166.69 15.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.771 2.029 . . . . 0.0 110.992 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 pp -122.87 165.9 15.91 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.684 1.194 . . . . 0.0 112.989 -176.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -148.52 -50.08 0.16 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.956 1.302 . . . . 0.0 113.034 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.472 0.668 0 C-N-CA 125.491 1.516 . . . . 0.0 112.134 -174.189 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.566 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -61.11 116.91 4.9 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.552 1.541 . . . . 0.0 112.836 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.6 mmm -120.78 87.33 2.73 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.736 1.614 . . . . 0.0 110.534 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -55.2 -39.43 69.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.058 0.943 . . . . 0.0 112.908 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.81 -16.82 53.07 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.32 -3.19 14.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.524 1.53 . . . . 0.0 113.664 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -61.06 -57.28 13.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.888 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -56.62 -41.89 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.086 0.955 . . . . 0.0 112.333 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.1 -65.15 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -57.47 -39.03 75.49 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.334 1.054 . . . . 0.0 112.3 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -59.14 -47.47 85.18 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.077 0.951 . . . . 0.0 111.688 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.38 -51.72 65.88 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.008 0.923 . . . . 0.0 112.14 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.4 mm -54.96 -46.91 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.107 0.867 . . . . 0.0 111.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.96 77.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.805 0.842 . . . . 0.0 112.942 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.55 -47.52 85.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.398 1.079 . . . . 0.0 111.962 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -48.84 -57.36 6.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.707 1.603 . . . . 0.0 111.962 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -54.8 -50.81 67.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.361 1.064 . . . . 0.0 111.985 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.74 -44.28 93.85 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.238 1.015 . . . . 0.0 112.827 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.55 -43.77 96.86 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.238 -0.914 . . . . 0.0 111.577 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.79 84.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.633 0.651 . . . . 0.0 112.623 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -65.85 -32.91 74.7 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.53 1.059 . . . . 0.0 113.161 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -72.53 -41.81 65.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.536 1.134 . . . . 0.0 110.971 -178.159 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -79.7 -2.96 45.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.87 1.668 . . . . 0.0 113.149 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 54.7 28.59 10.32 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.097 2.159 . . . . 0.0 112.733 -176.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.41 -39.82 45.72 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.791 1.637 . . . . 0.0 112.39 -175.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.9 m80 54.25 11.64 0.41 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.529 2.332 . . . . 0.0 116.271 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -146.12 159.61 43.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.016 2.527 . . . . 0.0 110.309 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.9 mt -139.88 133.54 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 108.969 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.84 -57.22 3.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.749 1.22 . . . . 0.0 110.386 174.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -156.62 167.36 30.7 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.31 121.67 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.317 2.247 . . . . 0.0 110.965 170.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 t -82.53 127.62 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.027 1.731 . . . . 0.0 109.468 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.31 119.47 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.588 1.155 . . . . 0.0 111.605 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.74 122.94 6.06 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.143 1.354 . . . . 0.0 112.565 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -118.52 125.22 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.82 1.648 . . . . 0.0 109.329 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.21 140.0 46.31 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.086 0.851 . . . . 0.0 113.304 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.57 -14.45 62.95 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.412 -1.052 . . . . 0.0 113.188 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -114.85 11.58 16.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.039 2.136 . . . . 0.0 114.134 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 p -64.5 -22.44 66.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.9 13.32 1.44 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.596 2.359 . . . . 0.0 115.052 -171.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.8 mtt -75.31 144.95 42.18 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.101 -0.999 . . . . 0.0 111.417 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -77.26 90.24 3.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.096 0.958 . . . . 0.0 110.743 172.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -52.18 -38.6 58.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.106 1.362 . . . . 0.0 113.445 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.8 t -63.17 -48.42 78.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.322 1.849 . . . . 0.0 112.066 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.98 -47.17 86.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.018 0.927 . . . . 0.0 110.942 173.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.98 -54.83 40.01 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.377 0.671 . . . . 0.0 112.195 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.59 -46.0 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 p -64.93 -29.12 70.04 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.92 54.52 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.808 1.243 . . . . 0.0 111.153 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.65 -58.19 5.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.52 0.728 . . . . 0.0 111.098 171.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.23 -21.25 66.29 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -73.18 -57.07 4.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.717 1.607 . . . . 0.0 110.997 168.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.77 -9.91 53.58 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -46.79 -37.96 9.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.476 1.489 . . . . 0.0 112.441 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.3 -9.16 22.01 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -174.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -22.05 64.06 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.713 0.805 . . . . 0.0 112.481 165.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.7 m -141.27 130.69 23.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.966 1.706 . . . . 0.0 112.603 -173.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.16 -44.92 96.55 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.472 -1.393 . . . . 0.0 112.806 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 m -69.06 -23.14 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.547 1.139 . . . . 0.0 112.894 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -78.18 -23.89 47.44 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 125.843 1.657 . . . . 0.0 112.989 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.24 -17.59 64.83 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.1 -15.14 44.92 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.816 1.247 . . . . 0.0 113.858 170.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 155.9 33.91 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -170.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.7 mt -126.49 149.77 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 127.661 2.384 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.96 126.61 38.13 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.851 . . . . 0.0 110.455 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 86.01 2.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.063 1.345 . . . . 0.0 110.555 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.45 133.97 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 110.274 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.2 t -122.23 125.49 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.544 1.938 . . . . 0.0 110.002 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -72.37 102.59 3.19 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.976 1.31 . . . . 0.0 111.523 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.4 121.69 27.91 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.486 1.114 . . . . 0.0 111.356 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -59.94 137.24 58.12 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.266 1.026 . . . . 0.0 110.788 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.17 159.38 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.921 0.889 . . . . 0.0 111.649 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -151.7 135.86 16.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.133 0.973 . . . . 0.0 112.39 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.89 95.71 5.04 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 127.907 2.483 . . . . 0.0 110.901 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.69 161.99 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 129.309 3.044 . . . . 0.0 112.342 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 7.4 t -101.64 158.06 16.37 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.299 1.44 . . . . 0.0 112.471 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -61.25 -61.9 2.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.65 1.58 . . . . 0.0 114.851 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -132.56 60.92 1.68 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.25 -156.5 0.69 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.438 1.895 . . . . 0.0 111.879 -163.367 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p -145.77 12.8 1.31 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -132.82 140.22 47.87 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.292 1.037 . . . . 0.0 113.618 -176.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.38 138.97 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 127.902 2.481 . . . . 0.0 110.007 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.31 -174.5 3.71 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.497 1.519 . . . . 0.0 112.995 -174.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 145.53 30.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.604 1.162 . . . . 0.0 110.701 165.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.79 153.63 43.04 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.152 2.568 . . . . 0.0 112.399 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -141.27 -166.89 2.28 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.643 2.377 . . . . 0.0 109.257 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.5 159.71 4.72 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.253 1.421 . . . . 0.0 113.362 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 88' ' ' LEU . 1.4 pt? -58.31 -28.04 64.65 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -170.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.77 -13.01 60.94 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.338 1.055 . . . . 0.0 113.136 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -123.16 11.5 9.47 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.83 2.052 . . . . 0.0 113.308 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.96 -12.08 74.85 Favored Glycine 0 CA--C 1.541 1.657 0 O-C-N 121.165 -0.959 . . . . 0.0 114.786 -178.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -67.27 151.37 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.468 1.507 . . . . 0.0 112.48 170.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.26 137.23 57.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.853 0.861 . . . . 0.0 109.991 164.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -19.86 54.52 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -79.63 -55.43 5.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.274 1.03 . . . . 0.0 111.527 167.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -119.57 106.61 12.36 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.49 1.516 . . . . 0.0 111.34 -174.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -72.66 69.42 0.89 Allowed 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -163.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -143.39 151.57 40.56 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.231 2.612 . . . . 0.0 110.016 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -86.29 17.02 3.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 113.749 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.69 -4.98 21.97 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.3 1.84 . . . . 0.0 115.682 -174.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.4 m -52.11 146.44 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.529 1.532 . . . . 0.0 113.587 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.56 152.22 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.13 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.19 105.1 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.548 1.139 . . . . 0.0 108.22 -176.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 t -88.72 -12.3 42.68 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.908 0.883 . . . . 0.0 112.623 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -155.68 125.61 6.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.784 2.034 . . . . 0.0 107.607 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.03 7.02 81.27 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 123.909 0.766 . . . . 0.0 114.87 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.22 -49.22 70.51 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.711 1.604 . . . . 0.0 111.463 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.77 164.38 26.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.763 2.025 . . . . 0.0 110.827 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 ptm -87.56 155.68 19.86 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.11 0.964 . . . . 0.0 112.9 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -148.26 149.85 32.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.335 1.454 . . . . 0.0 111.819 172.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.09 151.23 47.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 165.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -113.97 -61.53 1.73 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.119 1.768 . . . . 0.0 111.041 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -150.21 167.14 27.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.942 1.697 . . . . 0.0 111.559 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -128.63 164.77 22.16 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.418 1.087 . . . . 0.0 111.165 168.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -131.43 140.33 49.6 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.929 1.692 . . . . 0.0 110.527 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 63.3 mtt -132.19 120.15 21.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.268 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp -68.62 121.15 15.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.46 1.504 . . . . 0.0 109.606 175.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.09 -24.42 65.95 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 N--CA 1.47 0.537 0 C-N-CA 124.74 1.216 . . . . 0.0 113.132 -170.471 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 p -131.98 7.11 4.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.492 1.517 . . . . 0.0 114.618 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -129.77 166.76 19.23 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.371 1.869 . . . . 0.0 112.803 -175.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -124.65 -7.79 7.39 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.34 -42.84 92.44 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.821 -1.174 . . . . 0.0 112.501 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -80.36 1.24 29.68 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.9 t -57.86 -54.19 49.74 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.237 0.926 . . . . 0.0 111.755 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.83 -47.89 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.16 0.584 . . . . 0.0 110.769 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.75 -63.05 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.764 1.225 . . . . 0.0 111.153 -172.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -55.63 -39.42 70.82 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.599 1.56 . . . . 0.0 112.655 175.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -59.98 -43.82 94.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.121 0.568 . . . . 0.0 112.172 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -56.71 -46.7 81.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.873 0.869 . . . . 0.0 112.001 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.13 -51.63 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.198 0.599 . . . . 0.0 110.833 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.52 85.3 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.721 1.208 . . . . 0.0 112.919 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 mt -58.32 -51.29 70.42 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.62 1.568 . . . . 0.0 111.597 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.4 m -55.54 -49.25 73.15 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.762 0.825 . . . . 0.0 112.64 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.32 -54.6 41.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.822 0.849 . . . . 0.0 111.954 173.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.67 -49.2 78.67 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.326 1.05 . . . . 0.0 113.187 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -61.89 -39.86 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.205 -0.934 . . . . 0.0 111.808 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.41 86.87 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.942 0.792 . . . . 0.0 112.824 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -31.45 69.74 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.912 1.233 . . . . 0.0 113.086 172.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -74.51 -40.08 62.0 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.654 1.182 . . . . 0.0 111.339 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.99 -4.6 53.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.568 1.547 . . . . 0.0 113.013 171.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 59.54 26.2 15.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.873 2.069 . . . . 0.0 112.722 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.03 -39.53 25.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.165 1.786 . . . . 0.0 112.51 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 46.24 32.31 1.45 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.658 1.983 . . . . 0.0 114.431 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.51 167.4 9.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 128.912 2.885 . . . . 0.0 110.076 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -126.76 167.82 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 126.568 1.947 . . . . 0.0 109.081 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -120.05 -56.68 2.0 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.383 1.473 . . . . 0.0 111.45 164.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -152.47 116.56 4.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.884 0.765 . . . . 0.0 111.691 -168.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.26 106.13 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.929 1.291 . . . . 0.0 110.512 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 t -85.44 122.17 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.679 1.592 . . . . 0.0 110.015 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.82 128.32 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.968 1.307 . . . . 0.0 110.508 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.19 125.48 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.927 1.251 . . . . 0.0 111.74 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.96 117.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.203 1.401 . . . . 0.0 108.796 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 141.13 44.89 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.39 -9.02 51.65 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.978 -1.307 . . . . 0.0 113.261 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -103.63 8.51 37.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.691 1.997 . . . . 0.0 114.084 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.3 p -61.08 -27.21 68.19 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.59 18.68 4.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.153 2.181 . . . . 0.0 114.765 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.9 mtm -103.61 147.5 27.13 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.82 1.248 . . . . 0.0 112.455 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -82.08 114.22 20.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.719 1.208 . . . . 0.0 111.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -55.12 -36.94 66.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.379 1.072 . . . . 0.0 113.443 173.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 t -62.19 -45.01 95.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.287 1.435 . . . . 0.0 111.461 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.21 -46.62 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.694 0.797 . . . . 0.0 111.274 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.61 -53.57 56.5 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.33 -44.14 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.112 0.869 . . . . 0.0 112.332 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.3 t -60.21 -34.64 73.93 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 117.65 0.204 . . . . 0.0 111.473 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.65 -46.06 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.725 0.81 . . . . 0.0 111.693 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.82 -48.03 78.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.457 0.703 . . . . 0.0 111.858 173.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -64.27 -32.01 73.43 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.055 0.942 . . . . 0.0 113.445 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -64.25 -55.08 24.02 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.22 -0.925 . . . . 0.0 111.453 168.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -76.19 -7.9 55.86 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -53.72 -33.01 54.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.903 1.229 . . . . 0.0 113.705 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.75 -30.24 43.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.739 2.016 . . . . 0.0 114.104 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.25 -21.02 64.85 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.088 1.355 . . . . 0.0 114.071 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.3 m -138.83 126.28 21.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.207 1.403 . . . . 0.0 112.627 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.37 -44.97 80.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.576 1.15 . . . . 0.0 111.702 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -66.53 -26.82 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.801 0.84 . . . . 0.0 113.178 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -78.11 -22.78 48.37 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.807 1.243 . . . . 0.0 112.517 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.65 -9.95 56.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.182 0.993 . . . . 0.0 113.245 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.53 65.73 1.16 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.931 2.092 . . . . 0.0 110.041 169.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.47 160.21 40.72 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.054 1.741 . . . . 0.0 111.641 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.98 143.22 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.376 1.87 . . . . 0.0 108.885 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.79 155.45 37.6 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.11 0.964 . . . . 0.0 112.74 175.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.22 89.28 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.561 1.145 . . . . 0.0 111.236 160.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -77.02 104.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.568 1.147 . . . . 0.0 110.618 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.16 119.68 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.127 1.771 . . . . 0.0 109.885 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -71.61 110.46 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 110.31 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 139.92 36.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.711 0.804 . . . . 0.0 112.392 -177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -73.03 167.87 20.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.153 0.981 . . . . 0.0 111.81 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.424 HG12 ' HA3' ' A' ' 106' ' ' GLY . 4.8 m -122.78 158.98 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.419 1.487 . . . . 0.0 111.063 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -145.33 127.96 16.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.416 0.687 . . . . 0.0 112.517 -170.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -108.33 98.95 8.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.775 2.03 . . . . 0.0 110.269 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.8 147.38 48.98 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.946 2.098 . . . . 0.0 111.34 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.97 162.74 28.73 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 121.772 0.796 . . . . 0.0 110.993 154.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -61.14 -75.86 0.06 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.554 1.942 . . . . 0.0 114.639 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.12 61.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.621 1.568 . . . . 0.0 110.0 -169.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.27 -153.12 0.45 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.574 1.95 . . . . 0.0 111.273 -161.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.4 p -140.19 3.86 1.99 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -127.56 153.85 45.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.478 1.511 . . . . 0.0 113.202 -174.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.62 154.16 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.593 1.957 . . . . 0.0 109.942 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -140.38 -178.13 5.35 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.31 1.044 . . . . 0.0 112.964 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 140.36 21.13 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 125.542 1.537 . . . . 0.0 111.142 173.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.18 123.57 8.89 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.096 2.531 . . . . 0.0 111.57 -173.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -143.15 -68.97 0.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.842 1.257 . . . . 0.0 111.091 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.01 165.47 23.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.279 1.032 . . . . 0.0 112.23 169.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.75 -66.45 1.07 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.367 1.467 . . . . 0.0 111.547 176.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.6 -43.55 84.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.025 0.829 . . . . 0.0 111.907 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -82.26 5.39 20.18 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.761 1.625 . . . . 0.0 113.049 172.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.99 35.25 3.43 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 126.417 1.961 . . . . 0.0 113.029 -173.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.55 161.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.553 1.941 . . . . 0.0 112.09 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.06 128.27 36.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.05 0.928 . . . . 0.0 110.812 163.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -67.42 -22.81 65.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.917 0.887 . . . . 0.0 112.853 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -83.76 -50.32 8.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.301 1.04 . . . . 0.0 111.324 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -127.92 97.23 4.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.461 1.904 . . . . 0.0 111.294 -175.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -59.71 67.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.97 2.508 . . . . 0.0 116.561 -169.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.3 m -140.28 159.08 42.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.389 2.676 . . . . 0.0 111.568 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.41 8.92 19.74 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.249 2.219 . . . . 0.0 113.873 -176.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -65.61 -7.73 16.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.951 2.1 . . . . 0.0 116.192 -172.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.1 m -53.29 150.6 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.927 1.691 . . . . 0.0 114.319 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.87 153.41 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.819 1.648 . . . . 0.0 112.912 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.2 mp -78.31 113.55 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.412 1.485 . . . . 0.0 107.7 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.2 t -98.35 -11.82 22.11 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.246 1.018 . . . . 0.0 112.062 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -154.64 131.08 10.51 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.217 2.207 . . . . 0.0 107.779 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.424 ' HA3' HG12 ' A' ' 72' ' ' VAL . . . 112.73 -5.1 26.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.194 0.902 . . . . 0.0 115.251 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -61.47 -30.42 70.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.414 1.886 . . . . 0.0 113.371 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -144.05 -178.64 6.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.88 2.072 . . . . 0.0 112.101 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -105.5 149.88 25.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.39 1.076 . . . . 0.0 111.039 155.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -149.03 148.97 30.35 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.454 1.502 . . . . 0.0 111.044 175.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.78 158.48 15.64 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.813 -0.554 . . . . 0.0 112.422 167.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.86 -57.8 1.42 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 111.411 -175.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 m -150.05 167.81 25.71 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.222 1.409 . . . . 0.0 111.585 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 118.73 12.16 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 110.683 163.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -75.91 147.73 38.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.338 0.655 . . . . 0.0 109.779 170.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 56.0 mtt -137.57 140.15 40.85 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.169 1.788 . . . . 0.0 109.585 176.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.0 mt -137.42 153.74 50.09 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.715 1.206 . . . . 0.0 112.28 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -143.11 -13.36 0.72 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.583 1.553 . . . . 0.0 114.554 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 125.085 1.354 . . . . 0.0 112.579 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.432 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 m -66.79 160.24 26.32 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.872 1.269 . . . . 0.0 113.064 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 36.1 tpp -130.91 -15.08 3.44 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.847 1.259 . . . . 0.0 114.316 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -58.71 -42.55 88.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.645 1.178 . . . . 0.0 112.915 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.25 -16.49 63.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.967 1.307 . . . . 0.0 114.404 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -95.73 -3.51 45.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.436 1.095 . . . . 0.0 113.6 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -54.35 -54.46 40.14 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.165 0.986 . . . . 0.0 111.859 172.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 p -55.79 -47.04 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.171 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.88 -55.04 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 111.83 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -56.31 -44.85 80.32 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.536 1.135 . . . . 0.0 111.519 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -61.83 -46.35 89.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.865 0.866 . . . . 0.0 112.279 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.66 -54.83 41.56 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.945 1.698 . . . . 0.0 110.89 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.62 -42.36 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.907 0.883 . . . . 0.0 111.796 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.03 92.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.77 -45.09 91.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.242 1.017 . . . . 0.0 111.896 174.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.0 m -53.05 -52.81 57.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.561 1.144 . . . . 0.0 112.554 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -51.47 -58.4 6.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.133 1.373 . . . . 0.0 111.486 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -48.27 82.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.832 1.253 . . . . 0.0 113.33 -176.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -64.34 -38.4 90.89 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.306 -0.872 . . . . 0.0 112.023 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.37 73.75 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.008 0.822 . . . . 0.0 112.395 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -64.21 -32.95 74.73 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.285 0.948 . . . . 0.0 112.925 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -74.31 -38.19 63.4 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.143 0.977 . . . . 0.0 111.38 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -79.96 -2.4 43.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.216 1.406 . . . . 0.0 113.151 171.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 56.34 29.15 14.56 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.757 2.023 . . . . 0.0 112.373 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.8 -37.71 34.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.96 1.304 . . . . 0.0 112.39 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 53.43 12.87 0.39 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.281 2.232 . . . . 0.0 115.743 -176.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -156.84 171.83 19.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.626 2.371 . . . . 0.0 111.477 165.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.6 mt -132.01 143.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.466 1.906 . . . . 0.0 109.004 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -83.45 -68.5 0.71 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.874 1.27 . . . . 0.0 109.854 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -139.71 115.03 9.82 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.824 1.65 . . . . 0.0 112.592 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.3 t -65.77 131.2 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 159.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.7 t -105.32 118.91 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.033 1.333 . . . . 0.0 109.413 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 t -134.43 129.75 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.109 0.964 . . . . 0.0 111.804 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.21 138.63 14.01 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.873 1.225 . . . . 0.0 112.893 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -127.67 125.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.724 1.61 . . . . 0.0 108.629 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.51 143.84 43.04 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.407 0.527 . . . . 0.0 112.211 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.74 -10.85 58.91 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.336 -1.097 . . . . 0.0 112.986 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -115.62 8.58 15.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.082 2.153 . . . . 0.0 114.17 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -67.89 -13.93 62.55 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.71 -6.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 128.812 2.845 . . . . 0.0 117.48 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -72.99 132.56 43.57 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.471 1.509 . . . . 0.0 110.829 172.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.37 111.4 3.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.726 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -53.69 -39.68 65.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.694 1.198 . . . . 0.0 113.22 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.22 -41.01 97.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.727 1.611 . . . . 0.0 112.281 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.59 -43.43 93.85 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.48 -0.762 . . . . 0.0 111.722 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.47 -53.17 61.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.361 0.982 . . . . 0.0 112.532 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 65' ' ' LEU . 9.7 p -61.32 -44.62 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 118.579 0.627 . . . . 0.0 112.615 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -62.02 -32.94 73.48 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.8 -44.23 70.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.487 -0.758 . . . . 0.0 111.611 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.78 -50.73 60.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.535 0.734 . . . . 0.0 112.069 169.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.63 -16.71 59.49 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -64.13 -54.95 25.83 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.662 -1.274 . . . . 0.0 111.046 164.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -86.19 8.96 19.02 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -50.51 -30.47 12.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.026 1.33 . . . . 0.0 113.381 175.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.39 -18.68 11.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.534 1.934 . . . . 0.0 114.351 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.52 -27.51 69.02 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.218 1.407 . . . . 0.0 113.411 172.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.1 m -153.75 130.48 10.81 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -174.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.63 -31.0 65.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.663 1.185 . . . . 0.0 112.771 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.24 -27.41 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.387 0.675 . . . . 0.0 112.68 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -88.41 -35.12 17.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.989 1.716 . . . . 0.0 112.521 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -56.51 -26.07 53.41 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -114.33 1.0 14.31 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.249 1.419 . . . . 0.0 113.989 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.25 170.81 9.69 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.754 1.221 . . . . 0.0 113.745 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.7 mt -124.06 158.76 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.012 2.125 . . . . 0.0 109.384 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 47' ' ' VAL . 6.0 tt -119.31 102.12 8.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.722 1.609 . . . . 0.0 109.885 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.62 98.52 9.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.95 2.5 . . . . 0.0 111.082 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.5 mt -80.32 134.75 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.914 1.286 . . . . 0.0 111.045 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.51 132.43 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.769 2.027 . . . . 0.0 110.746 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.4 110.56 8.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.113 1.365 . . . . 0.0 111.094 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.98 132.07 43.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.229 1.012 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -79.75 168.85 18.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.48 -0.762 . . . . 0.0 112.702 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.45 137.42 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.907 1.683 . . . . 0.0 109.829 -174.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -137.98 129.32 27.72 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.882 0.873 . . . . 0.0 111.936 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt -106.38 104.1 13.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.359 1.863 . . . . 0.0 110.939 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.26 149.88 30.23 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.447 -0.783 . . . . 0.0 112.393 168.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.9 t -79.28 150.77 31.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 0.0 111.681 169.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -58.95 -59.96 4.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.665 1.986 . . . . 0.0 114.637 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.3 58.79 1.71 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 111.495 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.94 -156.75 0.72 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.707 2.003 . . . . 0.0 111.485 -164.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.9 p -145.08 15.37 1.52 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -132.67 152.44 51.69 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.526 1.53 . . . . 0.0 112.452 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -139.13 150.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.534 1.933 . . . . 0.0 110.472 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -143.82 178.05 8.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.23 1.012 . . . . 0.0 113.073 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -97.2 142.75 25.01 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.552 1.541 . . . . 0.0 111.865 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.27 132.79 37.62 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.642 2.228 . . . . 0.0 113.414 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -132.83 -172.78 3.01 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.597 2.359 . . . . 0.0 110.046 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 141.03 51.07 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.932 1.693 . . . . 0.0 113.568 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.18 -32.52 68.32 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.835 1.654 . . . . 0.0 115.014 -171.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.14 -15.5 63.75 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.252 1.021 . . . . 0.0 112.943 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -122.73 20.24 10.18 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.169 2.188 . . . . 0.0 112.691 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.19 -4.3 67.88 Favored Glycine 0 CA--C 1.535 1.331 0 O-C-N 120.872 -1.143 . . . . 0.0 115.659 -171.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.3 m -62.72 153.0 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.65 1.18 . . . . 0.0 113.265 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.14 144.91 53.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.159 1.384 . . . . 0.0 111.214 173.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.39 -39.09 91.78 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.611 0.764 . . . . 0.0 111.814 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -75.31 -55.53 5.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.335 1.454 . . . . 0.0 112.268 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.6 p -119.0 127.28 53.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.424 1.49 . . . . 0.0 112.223 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -80.39 63.35 4.83 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.277 -1.514 . . . . 0.0 113.732 -167.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.4 t -144.97 155.31 43.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.125 1.77 . . . . 0.0 110.061 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -104.09 31.73 4.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.875 1.67 . . . . 0.0 112.647 -175.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.01 -1.28 3.91 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.611 2.765 . . . . 0.0 115.68 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -58.83 157.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.019 1.728 . . . . 0.0 113.83 -175.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.9 152.41 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.001 1.321 . . . . 0.0 112.795 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 103' ' ' ILE . 1.5 mp -73.2 111.71 8.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 125.31 1.444 . . . . 0.0 108.197 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.3 t -103.6 -5.83 22.28 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.374 1.07 . . . . 0.0 112.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -159.25 130.87 6.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 127.284 2.234 . . . . 0.0 107.467 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.35 14.54 55.62 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.705 1.042 . . . . 0.0 115.705 172.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -54.95 -45.61 74.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.765 1.626 . . . . 0.0 111.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.9 170.16 22.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.573 2.349 . . . . 0.0 111.242 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -66.25 165.2 14.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 113.323 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -159.71 145.16 15.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.1 1.76 . . . . 0.0 111.956 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.39 148.39 50.75 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.507 -0.746 . . . . 0.0 110.474 164.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.34 -60.15 1.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.345 1.458 . . . . 0.0 110.316 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.1 m -152.32 175.37 12.74 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.801 1.641 . . . . 0.0 111.243 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.84 169.86 8.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.68 1.192 . . . . 0.0 108.915 157.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 132.37 36.35 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.688 1.995 . . . . 0.0 108.126 170.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.0 mtt -131.68 127.64 37.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.05 1.34 . . . . 0.0 110.15 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -135.11 150.1 50.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.117 1.767 . . . . 0.0 110.788 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.54 -53.84 14.51 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.123 0.969 . . . . 0.0 111.814 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 . . . . . 0 N--CA 1.47 0.526 0 C-N-CA 126.313 1.845 . . . . 0.0 111.527 -178.003 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -75.4 75.47 2.48 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.874 1.27 . . . . 0.0 112.139 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 36.8 tpp -65.9 141.47 58.23 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.987 1.315 . . . . 0.0 111.635 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -57.32 -48.53 78.73 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.683 0.793 . . . . 0.0 112.974 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.14 -17.46 64.49 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.95 2.13 32.04 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.397 1.479 . . . . 0.0 113.381 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 t -61.08 -57.7 11.45 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.412 1.085 . . . . 0.0 110.202 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.16 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.958 0.903 . . . . 0.0 111.856 176.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.36 -57.62 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.499 1.519 . . . . 0.0 111.767 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -56.94 -41.07 77.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.375 1.07 . . . . 0.0 112.308 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -62.05 -40.87 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.163 -0.922 . . . . 0.0 113.124 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.02 -60.01 3.96 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.808 1.185 . . . . 0.0 109.982 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -52.99 -50.66 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.755 1.622 . . . . 0.0 111.567 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.88 81.68 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.55 -44.24 96.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.317 0.962 . . . . 0.0 111.574 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB3' HD11 ' A' ' 28' ' ' ILE . 94.8 m -58.68 -48.68 80.26 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.913 0.885 . . . . 0.0 111.91 173.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -55.66 -50.64 69.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.253 0.621 . . . . 0.0 112.129 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -64.7 -37.22 86.84 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.119 1.368 . . . . 0.0 113.232 -176.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -70.09 -42.53 72.6 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.349 -0.844 . . . . 0.0 112.408 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.9 96.24 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.593 1.088 . . . . 0.0 112.8 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -66.06 -34.44 78.08 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -78.15 -37.57 45.66 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.773 1.229 . . . . 0.0 111.537 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -79.27 -3.22 44.96 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 170.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 57.84 25.97 12.67 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.831 2.052 . . . . 0.0 112.709 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.88 22.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.119 1.768 . . . . 0.0 112.313 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 48.53 26.67 1.23 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.87 2.068 . . . . 0.0 115.081 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -149.79 168.63 23.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.97 2.508 . . . . 0.0 111.244 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.416 HD11 ' HB3' ' A' ' 16' ' ' CYS . 69.4 mt -128.67 153.95 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.936 2.094 . . . . 0.0 108.224 167.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -99.84 -62.47 1.23 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.593 1.157 . . . . 0.0 109.306 161.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -149.5 170.31 18.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.755 1.222 . . . . 0.0 113.647 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.46 110.78 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.799 2.44 . . . . 0.0 108.552 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -86.61 120.77 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.251 1.821 . . . . 0.0 110.184 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.62 132.67 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.473 1.509 . . . . 0.0 110.068 -172.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 126.61 8.93 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 111.888 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.6 mt -128.9 119.75 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.384 1.474 . . . . 0.0 109.72 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.6 141.07 43.53 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.805 0.717 . . . . 0.0 112.615 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.01 -12.08 61.36 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.328 -1.101 . . . . 0.0 113.624 -173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -110.03 7.63 23.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.579 1.952 . . . . 0.0 113.963 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.1 p -61.06 -25.74 67.15 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.09 10.64 0.85 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.709 2.404 . . . . 0.0 115.107 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.7 mtm -84.28 141.42 30.97 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.051 0.94 . . . . 0.0 111.077 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -75.08 100.49 4.23 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.123 0.969 . . . . 0.0 111.501 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -56.78 -38.05 71.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.865 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -67.82 -40.72 83.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.163 1.385 . . . . 0.0 111.288 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.18 -48.73 79.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.808 0.843 . . . . 0.0 110.538 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.38 -50.35 73.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.28 0.946 . . . . 0.0 113.139 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.22 -40.01 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 t -62.85 -30.39 71.47 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.11 61.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.549 1.14 . . . . 0.0 111.113 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -54.35 -47.81 72.15 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.522 0.729 . . . . 0.0 112.301 172.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.18 -40.97 95.91 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.978 1.311 . . . . 0.0 112.66 175.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 111.659 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -83.65 2.97 34.97 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -51.1 -31.59 19.71 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.782 1.174 . . . . 0.0 113.353 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.2 -19.23 53.3 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.421 1.888 . . . . 0.0 114.177 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.15 -24.65 64.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.805 1.242 . . . . 0.0 113.56 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -139.18 119.21 13.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.183 1.393 . . . . 0.0 111.979 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.97 -28.51 57.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.797 1.239 . . . . 0.0 113.904 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.94 -20.26 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.496 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.14 -18.91 26.23 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.768 1.627 . . . . 0.0 113.855 -177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -63.83 -11.18 24.95 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -134.13 74.16 1.53 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.864 2.065 . . . . 0.0 110.137 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.04 170.47 18.3 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.887 1.675 . . . . 0.0 112.583 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.79 149.24 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 127.086 2.155 . . . . 0.0 109.455 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -113.5 103.9 11.73 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.238 1.415 . . . . 0.0 109.885 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.92 91.07 8.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.979 1.712 . . . . 0.0 111.49 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.0 101.38 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.053 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.7 t -78.97 116.53 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.25 1.82 . . . . 0.0 110.206 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -74.91 105.09 5.77 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.585 1.154 . . . . 0.0 110.264 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.77 149.48 24.82 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.188 0.995 . . . . 0.0 112.662 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -66.11 163.96 16.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.605 1.162 . . . . 0.0 111.273 167.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.5 t -130.17 142.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.528 1.531 . . . . 0.0 109.813 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -142.66 141.5 31.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.188 0.995 . . . . 0.0 111.871 -175.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.2 mt -115.14 103.98 11.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.076 2.15 . . . . 0.0 110.77 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.63 151.17 29.15 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.641 -0.662 . . . . 0.0 112.239 167.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.7 t -79.01 153.95 29.87 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.758 0.79 . . . . 0.0 111.436 166.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -62.43 -62.63 1.62 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.754 2.022 . . . . 0.0 114.422 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -128.71 58.09 1.59 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.765 1.626 . . . . 0.0 111.256 -169.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.3 -156.07 0.65 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.895 2.078 . . . . 0.0 111.425 -164.305 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -148.5 30.41 0.83 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.812 1.245 . . . . 0.0 112.47 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -144.13 149.39 36.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.847 1.259 . . . . 0.0 112.676 -172.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.45 152.73 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 126.499 1.92 . . . . 0.0 110.689 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -144.17 -179.96 6.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.251 1.421 . . . . 0.0 112.067 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 144.93 29.68 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 124.637 1.175 . . . . 0.0 112.305 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.08 121.39 8.01 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.175 2.583 . . . . 0.0 113.102 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -139.27 -68.48 0.43 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.402 1.481 . . . . 0.0 111.691 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.71 166.6 21.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.4 1.08 . . . . 0.0 112.927 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.79 -66.08 0.85 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.6 1.56 . . . . 0.0 112.05 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.05 -39.28 90.0 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.219 -0.926 . . . . 0.0 111.808 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -93.97 22.06 6.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.144 2.178 . . . . 0.0 112.576 174.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -80.41 25.73 3.2 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 126.922 2.201 . . . . 0.0 114.833 -172.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -65.06 156.4 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.147 1.779 . . . . 0.0 112.683 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.1 t -67.8 144.77 55.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.705 1.202 . . . . 0.0 111.372 173.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -63.73 -41.85 97.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.647 0.779 . . . . 0.0 111.845 -175.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -74.39 -57.12 4.15 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.488 1.115 . . . . 0.0 112.261 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.7 p -114.76 120.38 39.86 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.878 1.671 . . . . 0.0 111.749 -172.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -71.8 55.94 0.28 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.673 2.389 . . . . 0.0 114.457 -171.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 156.15 47.0 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.662 1.985 . . . . 0.0 110.565 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 28.44 6.6 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.306 1.842 . . . . 0.0 112.772 -175.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -66.73 -2.03 4.51 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.709 2.404 . . . . 0.0 115.506 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.31 154.7 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.02 1.728 . . . . 0.0 113.78 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.15 153.33 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.098 1.359 . . . . 0.0 113.375 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.0 mp -75.74 107.42 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.055 1.742 . . . . 0.0 109.173 -177.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.5 t -98.36 -6.42 30.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.539 1.136 . . . . 0.0 112.737 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -154.81 127.45 8.02 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 126.719 2.008 . . . . 0.0 107.925 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.84 17.99 79.3 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 123.467 0.556 . . . . 0.0 114.121 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -56.85 -40.83 76.83 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.477 1.911 . . . . 0.0 111.561 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -140.17 164.98 28.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.971 1.708 . . . . 0.0 111.643 172.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -74.18 148.34 41.74 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.343 1.057 . . . . 0.0 111.12 165.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -143.96 164.17 31.35 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.793 2.037 . . . . 0.0 111.027 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.67 154.98 34.89 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.595 -0.691 . . . . 0.0 110.948 158.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -119.89 -53.96 2.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.642 1.177 . . . . 0.0 111.123 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -162.61 173.62 13.68 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.351 1.46 . . . . 0.0 112.101 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -121.83 165.58 15.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.928 1.291 . . . . 0.0 109.076 165.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.37 151.29 51.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.094 1.757 . . . . 0.0 110.297 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.4 mtt -126.41 158.19 36.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.073 1.749 . . . . 0.0 110.899 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.2 99.11 4.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.746 1.618 . . . . 0.0 109.749 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.44 -20.2 19.27 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.826 1.25 . . . . 0.0 114.216 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 124.495 1.118 . . . . 0.0 112.221 179.368 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -62.46 101.32 0.23 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.056 1.742 . . . . 0.0 113.115 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 45.2 mtt -71.12 26.44 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.778 2.031 . . . . 0.0 114.641 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -58.46 -27.98 64.89 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.322 -1.486 . . . . 0.0 113.377 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.1 -22.85 61.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.881 1.272 . . . . 0.0 114.309 171.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -103.31 -0.99 29.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.011 1.725 . . . . 0.0 113.469 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.8 t -61.1 -51.84 67.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.866 0.866 . . . . 0.0 110.682 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -47.16 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.084 0.953 . . . . 0.0 111.745 176.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -54.71 -59.58 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.612 1.565 . . . . 0.0 111.575 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.7 t -57.07 -43.35 82.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.958 1.303 . . . . 0.0 111.742 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -61.96 -41.47 98.02 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.428 0.691 . . . . 0.0 112.5 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.67 -43.51 96.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.066 0.848 . . . . 0.0 112.176 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.08 -50.22 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.727 1.211 . . . . 0.0 110.245 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.18 77.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.966 0.906 . . . . 0.0 112.774 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.95 -46.37 89.61 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.205 1.402 . . . . 0.0 112.107 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -56.48 -45.86 80.72 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.012 0.824 . . . . 0.0 111.891 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -58.45 -52.47 65.47 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.58 0.752 . . . . 0.0 112.26 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 65.4 mm-40 -57.16 -51.93 67.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.773 1.229 . . . . 0.0 112.766 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -62.97 -39.27 94.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.512 -0.743 . . . . 0.0 111.717 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.47 83.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.984 0.811 . . . . 0.0 112.391 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 18' ' ' GLU . 24.4 pttt -70.92 -31.28 67.85 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.528 1.058 . . . . 0.0 113.552 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -73.06 -37.11 66.95 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.072 0.949 . . . . 0.0 111.212 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -82.77 -5.03 58.72 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.484 1.514 . . . . 0.0 112.983 171.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 58.8 24.57 12.49 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.145 2.178 . . . . 0.0 113.002 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.69 58.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.165 1.786 . . . . 0.0 112.077 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 51.31 19.12 0.71 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 127.212 2.205 . . . . 0.0 115.542 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -153.15 167.08 30.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 129.062 2.945 . . . . 0.0 109.933 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.1 mm -116.92 166.29 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 126.503 1.921 . . . . 0.0 108.859 168.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -111.53 -66.69 1.06 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.177 1.391 . . . . 0.0 109.424 161.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -139.61 158.92 43.3 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.736 1.614 . . . . 0.0 112.084 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.66 110.69 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 127.079 2.152 . . . . 0.0 110.515 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.5 t -86.26 126.24 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.273 1.829 . . . . 0.0 110.051 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.0 t -133.64 124.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.649 1.579 . . . . 0.0 109.99 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.89 6.51 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 125.047 1.308 . . . . 0.0 111.054 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.01 118.33 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.198 1.399 . . . . 0.0 108.567 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.04 152.04 51.24 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.69 0.662 . . . . 0.0 113.234 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.36 -1.23 28.96 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.443 -1.033 . . . . 0.0 112.917 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -129.93 8.53 5.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.053 2.141 . . . . 0.0 113.592 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -68.89 -16.95 63.9 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.71 3.53 0.21 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.361 2.664 . . . . 0.0 117.363 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -72.56 153.48 41.27 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.676 1.19 . . . . 0.0 111.483 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -79.81 97.26 6.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.14 0.976 . . . . 0.0 110.701 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -57.25 -39.36 75.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.398 . . . . 0.0 112.949 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -61.53 -43.94 97.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.678 1.991 . . . . 0.0 112.116 172.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.0 -41.24 99.53 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.959 0.903 . . . . 0.0 111.523 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.22 -54.34 47.92 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.583 1.083 . . . . 0.0 112.535 176.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.52 -41.87 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 t -60.73 -33.67 73.26 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.83 60.8 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.216 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -52.14 -55.13 22.85 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.108 0.963 . . . . 0.0 111.678 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.02 -36.98 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.126 1.77 . . . . 0.0 113.265 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 m -64.47 -57.98 7.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.366 1.066 . . . . 0.0 111.552 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -79.77 -6.55 57.51 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -47.67 -36.64 11.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.841 2.456 . . . . 0.0 113.487 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.7 -11.74 19.25 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.32 -22.88 65.3 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -137.15 123.19 20.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.866 1.267 . . . . 0.0 112.263 -175.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.89 -35.03 73.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.165 0.986 . . . . 0.0 112.846 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.61 -23.04 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.377 1.071 . . . . 0.0 113.022 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 m -82.68 -27.33 31.33 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.95 1.7 . . . . 0.0 113.34 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -65.51 -2.68 3.56 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.373 1.469 . . . . 0.0 114.834 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -126.51 79.99 1.9 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.307 1.843 . . . . 0.0 109.678 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.03 164.36 35.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.603 1.561 . . . . 0.0 112.102 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.1 mt -136.74 134.89 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.189 1.796 . . . . 0.0 109.367 172.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.18 102.9 14.77 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.074 1.35 . . . . 0.0 110.816 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -78.49 91.76 4.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.607 1.163 . . . . 0.0 111.204 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.41 100.62 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 124.98 1.312 . . . . 0.0 110.005 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.08 125.2 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.171 1.789 . . . . 0.0 110.095 171.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -69.31 100.29 1.31 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 109.945 166.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 150.78 25.36 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.044 0.938 . . . . 0.0 111.214 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 166.05 22.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.649 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -132.68 137.77 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.458 1.503 . . . . 0.0 110.603 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -143.45 153.65 42.87 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.922 1.289 . . . . 0.0 111.283 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.3 mt -122.31 106.11 10.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.755 2.422 . . . . 0.0 111.396 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.61 154.28 27.51 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.455 166.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.3 t -79.12 159.38 27.49 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.872 0.869 . . . . 0.0 111.827 165.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.96 -69.42 0.28 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.629 1.972 . . . . 0.0 113.885 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -121.83 60.83 0.96 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.154 1.781 . . . . 0.0 110.929 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.452 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -147.05 -159.98 1.1 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.719 2.408 . . . . 0.0 110.412 -165.568 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.0 p -146.04 23.41 1.36 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.738 1.215 . . . . 0.0 113.928 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -131.39 149.87 52.37 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.697 1.599 . . . . 0.0 112.401 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.1 m -137.0 151.51 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.095 1.758 . . . . 0.0 111.204 172.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -143.76 175.69 9.8 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.267 1.427 . . . . 0.0 112.095 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 142.54 24.82 Favored Pre-proline 0 N--CA 1.478 0.973 0 O-C-N 120.723 -1.236 . . . . 0.0 112.502 -177.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.65 172.2 14.85 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.408 2.739 . . . . 0.0 114.002 -172.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 92.31 -13.71 0.18 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 131.004 3.721 . . . . 0.0 113.696 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.79 112.02 3.52 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.045 0.938 . . . . 0.0 111.833 172.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 88' ' ' LEU . 2.3 pt? -90.76 -39.98 12.08 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.085 1.354 . . . . 0.0 113.935 -170.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.09 -18.33 58.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.475 0.71 . . . . 0.0 112.712 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -124.76 52.09 1.58 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.008 2.123 . . . . 0.0 111.707 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.51 -19.64 70.82 Favored Glycine 0 CA--C 1.54 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 114.82 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.88 163.05 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.447 1.499 . . . . 0.0 111.837 167.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.1 141.85 58.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 122.064 0.935 . . . . 0.0 110.713 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.86 -39.09 93.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.542 0.737 . . . . 0.0 111.828 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -77.76 -57.77 3.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.885 1.274 . . . . 0.0 112.524 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -113.16 125.33 54.23 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.339 1.456 . . . . 0.0 111.82 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -79.29 60.91 3.23 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.308 -1.495 . . . . 0.0 113.95 -166.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.0 m -139.03 154.87 48.28 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.103 2.161 . . . . 0.0 110.613 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.29 19.01 16.22 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.844 1.658 . . . . 0.0 113.211 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -68.94 -1.83 8.3 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.931 2.492 . . . . 0.0 115.861 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -55.83 150.39 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.519 1.528 . . . . 0.0 113.446 -175.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.08 156.87 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.614 1.566 . . . . 0.0 112.516 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -68.17 106.54 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.971 1.308 . . . . 0.0 109.54 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -87.7 -12.51 45.14 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 121.653 0.739 . . . . 0.0 112.431 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -160.31 125.63 3.94 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.816 2.046 . . . . 0.0 107.765 -168.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.25 18.24 61.1 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 114.938 0.735 . . . . 0.0 114.938 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.87 -35.76 75.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.984 1.314 . . . . 0.0 113.004 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -142.22 164.53 29.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.89 1.676 . . . . 0.0 110.954 173.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -69.29 155.21 40.8 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.981 0.912 . . . . 0.0 111.322 164.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -151.4 160.81 43.57 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.307 1.443 . . . . 0.0 112.191 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -68.82 150.98 47.21 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.766 -0.584 . . . . 0.0 110.703 157.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.4 mt -116.66 -51.76 2.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.924 1.29 . . . . 0.0 111.56 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -161.86 169.13 21.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.132 1.373 . . . . 0.0 111.34 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.22 166.52 13.87 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.853 1.261 . . . . 0.0 110.899 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -133.33 148.95 51.91 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.658 1.583 . . . . 0.0 110.685 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 mtt -137.32 128.47 27.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.193 2.197 . . . . 0.0 109.73 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.2 mt -139.97 170.71 15.36 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.996 1.718 . . . . 0.0 111.607 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -119.63 -56.02 2.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.716 1.606 . . . . 0.0 111.941 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 124.412 1.085 . . . . 0.0 112.073 174.583 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -145.57 114.62 6.99 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.207 1.403 . . . . 0.0 110.915 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 77.9 mtm -140.74 155.0 46.55 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.797 1.639 . . . . 0.0 111.379 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -100.41 -12.61 19.25 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.452 1.101 . . . . 0.0 113.867 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.62 -43.52 84.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.659 1.183 . . . . 0.0 112.657 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -86.14 -1.66 57.62 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.1 t -62.9 -55.44 26.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.915 0.78 . . . . 0.0 111.153 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.12 -41.11 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.756 0.822 . . . . 0.0 112.266 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 50' ' ' PHE . 72.1 t -57.78 -65.59 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.731 2.013 . . . . 0.0 111.701 176.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.0 t -53.43 -43.08 67.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.329 1.051 . . . . 0.0 112.179 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t -59.26 -51.94 67.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.456 1.102 . . . . 0.0 112.3 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.5 -51.72 68.64 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.309 1.044 . . . . 0.0 112.264 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -54.62 -47.67 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.914 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.12 85.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.791 0.836 . . . . 0.0 113.085 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.93 -48.78 80.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.308 1.443 . . . . 0.0 112.156 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -62.85 -41.02 99.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.573 1.149 . . . . 0.0 112.408 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.98 -47.36 85.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.918 0.781 . . . . 0.0 111.976 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.25 -43.2 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.798 0.839 . . . . 0.0 112.695 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -62.68 -42.77 99.8 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.173 -0.955 . . . . 0.0 112.259 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.15 95.29 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.907 0.776 . . . . 0.0 112.664 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -66.6 -32.5 73.88 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.371 0.987 . . . . 0.0 113.076 172.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -74.38 -40.85 61.81 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.541 1.136 . . . . 0.0 111.587 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.71 -8.01 56.44 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.428 1.491 . . . . 0.0 112.85 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 57.75 28.82 16.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.828 2.051 . . . . 0.0 112.352 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.49 -36.56 71.16 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.441 1.496 . . . . 0.0 112.236 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.7 m80 54.71 10.99 0.4 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.215 2.206 . . . . 0.0 115.652 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -162.36 178.47 8.63 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.695 2.798 . . . . 0.0 110.937 168.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.1 mt -118.8 163.48 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 126.581 1.952 . . . . 0.0 108.554 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -105.24 -62.47 1.34 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.421 1.088 . . . . 0.0 109.559 162.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -155.74 111.99 3.12 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.657 1.183 . . . . 0.0 111.585 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m -74.65 142.02 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.731 -0.606 . . . . 0.0 109.637 166.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -124.84 125.78 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.52 1.528 . . . . 0.0 108.805 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.4 142.54 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.022 1.329 . . . . 0.0 110.69 -169.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.28 130.78 10.36 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.458 1.504 . . . . 0.0 111.793 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mt -123.14 119.9 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.104 1.362 . . . . 0.0 108.825 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.92 142.08 47.89 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.717 0.675 . . . . 0.0 112.804 -176.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.3 -3.29 19.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.306 1.042 . . . . 0.0 113.603 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -123.6 10.51 9.09 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.461 2.304 . . . . 0.0 113.692 170.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -66.68 -15.92 63.85 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.78 0.28 0.24 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 128.38 2.672 . . . . 0.0 116.747 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.3 ptp -77.1 152.96 34.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.849 1.204 . . . . 0.0 111.875 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -85.8 101.78 13.11 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.45 1.1 . . . . 0.0 110.889 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -51.0 -38.61 52.32 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.185 1.394 . . . . 0.0 113.655 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.3 t -63.25 -48.12 79.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.795 1.638 . . . . 0.0 112.291 174.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.58 -44.42 96.25 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.962 0.905 . . . . 0.0 111.517 175.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.02 -57.34 12.99 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.329 1.052 . . . . 0.0 112.804 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.2 -44.98 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.482 1.037 . . . . 0.0 113.704 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.7 p -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.94 66.99 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.14 0.976 . . . . 0.0 112.068 168.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HA ' HG13 ' A' ' 9' ' ' VAL . 61.0 t80 -54.35 -47.7 72.27 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.918 0.887 . . . . 0.0 112.506 171.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -63.35 -40.12 96.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.733 0.813 . . . . 0.0 112.584 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -59.4 -46.89 87.42 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.028 -1.045 . . . . 0.0 111.826 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -82.21 -0.43 45.16 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -57.48 -27.86 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 120.174 1.352 . . . . 0.0 113.394 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.83 -19.49 6.6 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.881 2.073 . . . . 0.0 114.332 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.85 -33.3 74.97 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.355 1.462 . . . . 0.0 113.43 174.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -140.04 125.29 18.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.565 1.146 . . . . 0.0 112.405 -167.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -35.33 69.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.226 1.01 . . . . 0.0 112.774 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 m -64.52 -27.02 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.695 1.198 . . . . 0.0 113.237 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.53 -27.79 23.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.693 1.597 . . . . 0.0 112.472 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.58 -12.26 59.99 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.292 1.437 . . . . 0.0 113.285 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -131.03 62.81 1.61 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.839 2.055 . . . . 0.0 110.219 172.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.24 170.95 14.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.954 1.701 . . . . 0.0 112.481 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.7 mt -135.75 147.64 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 127.302 2.241 . . . . 0.0 108.479 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 tp -120.92 107.5 12.76 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.606 1.562 . . . . 0.0 110.594 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -96.57 103.07 14.96 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.506 1.922 . . . . 0.0 112.771 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -82.2 122.15 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.025 0.93 . . . . 0.0 111.65 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.7 t -95.05 132.62 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 127.533 2.333 . . . . 0.0 109.636 166.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -75.2 101.87 4.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.278 1.031 . . . . 0.0 110.425 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.95 144.0 32.19 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.53 1.132 . . . . 0.0 112.188 -175.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 160.62 30.1 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.805 1.242 . . . . 0.0 111.722 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.92 143.42 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 110.836 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -145.46 144.59 30.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.573 1.149 . . . . 0.0 111.577 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.8 103.92 10.45 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.372 2.269 . . . . 0.0 110.502 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -82.65 152.17 25.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.008 0.923 . . . . 0.0 112.708 170.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.428 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 6.8 t -76.46 156.66 32.88 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.803 0.811 . . . . 0.0 111.718 165.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -62.14 -62.13 1.99 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.686 1.994 . . . . 0.0 114.62 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -129.67 56.2 1.73 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.566 1.546 . . . . 0.0 111.403 -167.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -145.22 -159.23 0.98 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.768 2.027 . . . . 0.0 111.444 -162.024 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -144.32 18.22 1.72 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.825 1.25 . . . . 0.0 114.356 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -128.86 149.18 50.87 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.631 1.573 . . . . 0.0 112.343 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -137.77 152.2 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.452 1.901 . . . . 0.0 110.232 172.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -140.16 179.82 6.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.572 1.149 . . . . 0.0 113.146 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.3 144.08 27.28 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.252 1.421 . . . . 0.0 111.706 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -69.46 178.15 4.67 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.749 2.966 . . . . 0.0 114.167 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 81.17 -5.54 1.63 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.271 3.029 . . . . 0.0 114.197 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.47 126.82 30.05 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.123 0.969 . . . . 0.0 111.608 173.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 88' ' ' LEU . 2.5 pt? -119.21 -36.96 3.27 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.169 1.388 . . . . 0.0 113.887 -176.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -82.16 -20.67 37.44 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.213 1.005 . . . . 0.0 112.512 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -137.44 28.91 2.72 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.416 2.286 . . . . 0.0 112.176 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.29 -3.93 62.78 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.354 1.454 . . . . 0.0 116.564 -173.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -72.04 163.24 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.74 1.27 . . . . 0.0 112.513 169.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 t -61.78 129.24 40.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.348 1.071 . . . . 0.0 110.443 165.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -65.38 -22.63 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.914 0.886 . . . . 0.0 112.619 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -83.99 -53.67 5.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.184 171.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.26 110.04 14.71 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.367 1.867 . . . . 0.0 111.201 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.7 p-80 -64.09 58.89 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.417 2.687 . . . . 0.0 116.197 -171.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.5 m -139.3 163.26 32.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.807 2.843 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -106.47 25.18 11.45 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.719 1.607 . . . . 0.0 112.894 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -68.56 -2.74 9.58 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.535 2.334 . . . . 0.0 115.721 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 m -54.38 153.48 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.096 1.758 . . . . 0.0 114.313 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.05 155.2 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.027 1.731 . . . . 0.0 111.956 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.96 109.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.625 1.17 . . . . 0.0 108.492 -175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 t -89.87 -9.54 48.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.393 1.077 . . . . 0.0 112.893 -177.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -158.81 127.6 5.38 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.874 2.07 . . . . 0.0 107.994 -169.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.36 16.9 78.83 Favored Glycine 0 CA--C 1.538 1.48 0 N-CA-C 115.666 1.026 . . . . 0.0 115.666 174.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -64.11 -30.12 71.21 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.558 1.143 . . . . 0.0 112.753 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -144.98 171.71 14.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.068 2.147 . . . . 0.0 111.34 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.01 165.94 22.4 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -154.87 147.65 24.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.515 1.926 . . . . 0.0 111.291 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -70.48 153.56 42.81 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.384 -0.822 . . . . 0.0 111.293 163.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mp -114.43 -56.6 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.746 1.618 . . . . 0.0 110.904 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -159.43 168.98 24.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.957 1.303 . . . . 0.0 111.646 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.6 mt -125.78 110.99 14.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.638 1.575 . . . . 0.0 109.443 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -78.65 132.13 36.94 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.642 -0.661 . . . . 0.0 109.403 170.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.0 mtt -120.68 147.65 44.99 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.393 1.477 . . . . 0.0 111.028 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.88 166.28 15.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.116 0.966 . . . . 0.0 112.176 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.72 -18.11 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.703 2.801 . . . . 0.0 117.164 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 125.399 1.48 . . . . 0.0 111.537 179.748 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -72.33 86.43 1.11 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.908 1.683 . . . . 0.0 112.957 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -141.98 157.97 44.32 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.778 1.631 . . . . 0.0 111.979 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -143.14 -2.27 1.02 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.06 -37.12 76.29 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.289 -1.507 . . . . 0.0 112.836 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -81.3 4.01 22.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.389 1.476 . . . . 0.0 114.298 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 p -54.26 -58.22 8.23 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.548 1.139 . . . . 0.0 112.207 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.89 -47.31 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.196 0.999 . . . . 0.0 110.958 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.13 -61.77 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 124.814 1.246 . . . . 0.0 110.701 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 t -57.86 -42.6 84.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.003 1.321 . . . . 0.0 111.855 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.4 t -60.9 -51.11 70.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.883 0.873 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.11 -45.27 94.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.817 0.847 . . . . 0.0 111.753 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.76 -43.29 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.203 1.001 . . . . 0.0 111.861 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.84 -44.98 82.64 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.656 0.782 . . . . 0.0 112.079 172.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.67 -40.82 98.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.135 0.974 . . . . 0.0 112.502 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -55.12 -54.17 46.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.039 1.291 . . . . 0.0 111.724 171.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.36 -49.87 68.8 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.004 1.322 . . . . 0.0 112.045 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -61.96 -51.59 67.46 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.058 1.343 . . . . 0.0 113.041 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -59.35 -42.68 92.11 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.24 -0.913 . . . . 0.0 112.087 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.01 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.48 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -65.78 -31.57 72.62 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.704 1.138 . . . . 0.0 112.889 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -69.03 -42.75 75.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.779 1.232 . . . . 0.0 110.601 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -82.75 -0.38 47.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.282 1.433 . . . . 0.0 113.509 175.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.85 30.25 13.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.856 2.062 . . . . 0.0 112.782 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.36 -39.39 32.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.636 1.574 . . . . 0.0 112.642 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 55.84 10.33 0.54 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.455 2.302 . . . . 0.0 116.209 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -163.42 173.12 13.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 129.535 3.134 . . . . 0.0 109.808 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.94 166.24 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.844 1.657 . . . . 0.0 109.39 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -108.4 -63.08 1.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.972 -1.08 . . . . 0.0 109.387 163.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -151.78 105.71 3.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.308 1.043 . . . . 0.0 112.561 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.79 143.97 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.961 0.904 . . . . 0.0 109.098 162.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.43 125.11 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.494 1.517 . . . . 0.0 108.582 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.85 144.33 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.333 1.453 . . . . 0.0 110.475 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.33 128.75 9.63 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.173 1.368 . . . . 0.0 111.408 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -127.83 127.52 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.845 1.258 . . . . 0.0 108.433 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.9 143.69 48.87 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.229 0.919 . . . . 0.0 113.126 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.89 -13.28 62.02 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.428 -1.042 . . . . 0.0 113.104 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -113.43 4.46 16.29 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.328 1.851 . . . . 0.0 114.147 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -19.5 65.89 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.55 16.08 2.38 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.495 2.318 . . . . 0.0 115.553 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.2 mtt -73.03 141.07 47.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.5 1.52 . . . . 0.0 111.385 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.11 95.23 3.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.101 0.961 . . . . 0.0 110.696 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -52.83 -37.26 59.81 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.508 1.123 . . . . 0.0 113.5 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.92 -40.35 97.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.838 1.655 . . . . 0.0 112.6 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.47 -49.81 72.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.847 0.859 . . . . 0.0 110.093 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.6 -41.41 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 176.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.4 t -61.6 -32.32 72.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.98 57.25 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.034 0.934 . . . . 0.0 111.575 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -52.9 -48.56 67.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.364 1.066 . . . . 0.0 112.327 173.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.3 -46.26 91.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.826 1.25 . . . . 0.0 112.177 174.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -55.2 -38.43 68.38 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.065 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.25 3.21 44.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.242 1.417 . . . . 0.0 114.217 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -55.29 -29.54 58.39 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.431 1.469 . . . . 0.0 113.987 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.78 -16.97 61.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.984 1.714 . . . . 0.0 114.37 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -83.83 -7.01 59.55 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -130.72 172.1 12.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.447 2.299 . . . . 0.0 110.256 173.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.56 -55.91 3.66 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.113 -0.992 . . . . 0.0 110.332 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 m -69.67 -22.27 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.193 1.797 . . . . 0.0 112.266 -170.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.58 -17.02 56.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.424 1.09 . . . . 0.0 112.215 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -28.43 69.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.952 0.797 . . . . 0.0 112.558 173.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -114.74 81.49 1.57 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.665 1.586 . . . . 0.0 109.706 172.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.43 166.56 27.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.18 1.792 . . . . 0.0 112.338 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mm -137.42 154.74 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 128.337 2.655 . . . . 0.0 107.518 168.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 tt -130.24 127.34 39.41 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.221 1.409 . . . . 0.0 110.783 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -117.46 110.17 17.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.24 1.816 . . . . 0.0 112.185 -171.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.24 103.41 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.324 1.05 . . . . 0.0 111.594 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.68 124.65 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.616 1.966 . . . . 0.0 110.419 166.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.55 100.28 4.52 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.339 1.455 . . . . 0.0 110.959 171.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.53 136.78 36.98 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.178 -0.951 . . . . 0.0 112.325 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 164.62 14.39 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.177 1.391 . . . . 0.0 111.713 169.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.73 150.03 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.643 1.577 . . . . 0.0 112.383 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.29 144.67 27.76 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.208 1.003 . . . . 0.0 111.657 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.54 110.25 16.67 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.116 2.166 . . . . 0.0 110.461 -172.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -93.35 153.49 18.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.722 0.809 . . . . 0.0 112.314 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 7.7 t -74.81 155.98 37.0 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.847 0.832 . . . . 0.0 111.616 166.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.95 -67.01 0.41 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 114.654 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -127.04 58.41 1.44 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.697 1.599 . . . . 0.0 110.82 -170.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.451 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -144.04 -157.56 0.8 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.487 1.915 . . . . 0.0 111.238 -163.149 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 t -135.48 -2.96 2.41 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -110.4 155.5 22.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.223 1.409 . . . . 0.0 114.155 -172.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 t -144.31 135.92 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 128.172 2.589 . . . . 0.0 109.431 -178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -136.49 177.69 7.65 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.058 1.343 . . . . 0.0 113.246 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 143.58 26.35 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 0.0 112.741 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -71.82 -177.15 2.37 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.63 2.887 . . . . 0.0 113.639 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 77.59 -10.4 1.36 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 129.274 3.03 . . . . 0.0 114.291 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.66 125.19 22.94 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.125 1.37 . . . . 0.0 112.288 173.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' H ' HD23 ' A' ' 88' ' ' LEU . 2.5 pt? -119.69 -35.48 3.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.427 1.491 . . . . 0.0 113.903 -177.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -79.69 -21.04 45.16 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.146 0.978 . . . . 0.0 112.54 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -138.92 32.9 2.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.093 2.157 . . . . 0.0 112.48 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.58 -6.11 57.81 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.147 1.356 . . . . 0.0 116.41 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.3 m -73.69 161.99 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 0.0 112.681 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.69 131.08 49.59 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.312 1.053 . . . . 0.0 110.513 163.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.1 -35.42 76.96 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.252 1.021 . . . . 0.0 111.79 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -78.23 -46.18 21.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.85 107.91 9.46 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.3 1.84 . . . . 0.0 111.33 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -64.57 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.006 2.522 . . . . 0.0 116.55 -169.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -137.59 156.36 48.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.637 2.775 . . . . 0.0 110.624 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -94.25 22.78 5.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.795 1.638 . . . . 0.0 113.693 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -68.4 -0.99 5.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.984 2.113 . . . . 0.0 116.055 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 20.3 m -54.94 153.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.809 1.644 . . . . 0.0 114.402 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.333 1.853 . . . . 0.0 112.569 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.43 108.11 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.239 1.416 . . . . 0.0 108.346 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -92.88 -9.04 41.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.327 1.051 . . . . 0.0 112.864 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -154.95 130.1 9.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.25 1.82 . . . . 0.0 108.099 -170.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.6 15.72 81.32 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.312 0.958 . . . . 0.0 115.235 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -71.41 -28.24 63.87 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.315 1.046 . . . . 0.0 112.8 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.88 168.84 21.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.661 1.984 . . . . 0.0 111.901 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -82.05 161.82 22.79 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.757 1.223 . . . . 0.0 113.915 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -158.25 155.64 29.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.457 1.903 . . . . 0.0 112.055 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -65.61 158.11 28.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.235 -0.916 . . . . 0.0 112.039 167.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.3 -60.49 1.41 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.018 1.327 . . . . 0.0 111.739 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.9 m -145.96 167.5 23.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.78 1.232 . . . . 0.0 112.748 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.7 104.57 5.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 108.939 168.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -76.33 142.54 41.22 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.621 0.769 . . . . 0.0 110.242 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.1 152.56 50.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.618 1.567 . . . . 0.0 110.849 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.47 75.56 4.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.573 1.149 . . . . 0.0 112.359 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.13 -21.9 61.4 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.994 1.317 . . . . 0.0 113.815 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 C-N-CA 125.06 1.344 . . . . 0.0 111.873 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 t60 . . . . . 0 CA--C 1.544 0.736 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.66 -21.31 60.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.023 1.329 . . . . 0.0 114.52 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.06 -2.81 23.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.237 1.415 . . . . 0.0 113.53 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.3 t -61.87 -54.19 45.48 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.929 0.892 . . . . 0.0 111.047 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 p -57.29 -43.27 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.571 1.148 . . . . 0.0 112.474 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.82 -66.29 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 127.684 2.394 . . . . 0.0 111.359 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.7 t -50.63 -44.4 57.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.166 1.386 . . . . 0.0 112.153 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -56.87 -56.68 18.5 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.294 1.037 . . . . 0.0 112.134 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.63 -47.84 81.11 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.89 -41.74 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.652 0.781 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.334 -0.853 . . . . 0.0 112.521 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.26 -47.01 86.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.627 1.171 . . . . 0.0 112.396 174.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.0 m -50.85 -53.09 35.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.888 0.875 . . . . 0.0 112.124 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.58 -45.18 92.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.369 1.068 . . . . 0.0 112.229 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -66.54 -35.65 80.76 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.015 1.326 . . . . 0.0 113.778 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -68.39 -44.2 75.61 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.019 -1.051 . . . . 0.0 111.994 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.87 84.87 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -67.26 -35.05 78.71 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.808 0.731 . . . . 0.0 112.814 171.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.3 -39.86 38.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.801 1.24 . . . . 0.0 111.216 -172.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -78.56 -3.71 45.07 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.249 1.42 . . . . 0.0 112.978 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 55.48 29.42 13.28 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.859 2.063 . . . . 0.0 112.46 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.28 -37.11 26.35 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.986 1.714 . . . . 0.0 111.886 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 49.89 22.64 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.94 2.096 . . . . 0.0 115.031 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -149.58 169.92 19.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.136 2.574 . . . . 0.0 110.625 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mm -119.48 171.56 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 127.561 2.344 . . . . 0.0 108.177 164.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -125.14 -51.48 1.66 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.797 1.639 . . . . 0.0 110.494 165.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -144.61 156.93 44.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.334 1.453 . . . . 0.0 110.766 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 m -126.36 148.06 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.393 1.077 . . . . 0.0 109.187 157.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -127.12 129.06 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.147 1.379 . . . . 0.0 108.742 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 p -127.51 156.46 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.992 1.317 . . . . 0.0 110.749 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.13 114.47 2.7 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 125.509 1.528 . . . . 0.0 110.305 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.7 mt -112.85 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.975 1.31 . . . . 0.0 109.068 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 141.99 42.23 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.247 0.927 . . . . 0.0 112.266 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -77.23 -1.01 27.37 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.619 -0.93 . . . . 0.0 112.952 -168.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -114.62 -1.25 13.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 128.308 2.643 . . . . 0.0 113.496 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.5 p -67.05 -20.15 65.79 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.37 9.96 0.84 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 127.92 2.488 . . . . 0.0 115.666 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.4 mtm -75.59 138.37 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.172 0.989 . . . . 0.0 111.614 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.66 108.18 9.49 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.937 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.15 -39.76 57.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.122 . . . . 0.0 113.119 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.3 t -60.19 -44.65 94.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.636 1.975 . . . . 0.0 112.738 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 tp -64.17 -48.77 74.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.072 0.949 . . . . 0.0 111.642 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.419 ' CE2' HD21 ' A' ' 65' ' ' LEU . 48.9 t80 -58.9 -52.81 64.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.639 0.775 . . . . 0.0 112.587 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.54 -42.41 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.341 0.973 . . . . 0.0 113.325 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -60.38 -34.48 73.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 117.949 0.341 . . . . 0.0 111.701 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.97 65.89 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.472 -0.767 . . . . 0.0 112.105 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -55.23 -47.73 74.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.859 1.264 . . . . 0.0 113.421 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -32.7 74.46 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.998 1.319 . . . . 0.0 112.823 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.7 m -67.37 -56.67 8.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.67 1.188 . . . . 0.0 111.581 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -73.86 -8.15 54.97 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -36.81 30.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.646 1.978 . . . . 0.0 112.646 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -63.49 -10.83 19.51 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.746 2.418 . . . . 0.0 115.348 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.61 -28.56 68.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.107 0.963 . . . . 0.0 113.163 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -138.72 129.54 26.45 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.887 1.275 . . . . 0.0 111.974 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -35.29 80.04 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.998 -1.064 . . . . 0.0 113.185 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.05 -24.79 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.191 1.396 . . . . 0.0 112.56 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.41 -28.47 37.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.796 1.638 . . . . 0.0 113.241 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -68.19 -27.3 66.28 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -168.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -89.62 73.48 7.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.116 1.367 . . . . 0.0 110.774 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.41 166.08 34.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.167 1.387 . . . . 0.0 112.387 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.6 mm -138.26 148.99 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.784 2.034 . . . . 0.0 109.022 165.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 46' ' ' PHE . 2.8 tp -109.25 118.85 37.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.784 2.034 . . . . 0.0 110.749 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.6 111.28 23.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.82 2.048 . . . . 0.0 112.172 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.93 107.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.489 1.116 . . . . 0.0 112.061 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.99 122.19 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.051 1.341 . . . . 0.0 110.133 164.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.11 106.69 4.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.982 1.313 . . . . 0.0 110.261 168.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -96.65 148.23 23.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.127 0.971 . . . . 0.0 112.717 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.87 179.43 7.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.417 1.487 . . . . 0.0 112.609 -176.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.6 t -112.41 140.34 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.572 1.549 . . . . 0.0 110.826 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.18 136.82 28.54 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.105 1.362 . . . . 0.0 112.254 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -111.29 113.01 25.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.007 2.123 . . . . 0.0 110.707 -174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.12 149.43 21.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.389 1.476 . . . . 0.0 111.407 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 4.4 t -96.33 139.79 31.94 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.009 0.924 . . . . 0.0 111.904 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -55.48 -70.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.993 2.517 . . . . 0.0 115.056 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -112.28 25.53 11.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.054 2.142 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 5.5 t -115.55 -146.32 0.4 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.719 2.808 . . . . 0.0 110.909 -160.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t -158.25 42.34 0.28 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.849 . . . . 0.0 112.493 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -146.48 156.57 43.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.8 t -146.61 134.35 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 127.801 2.441 . . . . 0.0 109.732 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -143.88 177.58 8.44 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.561 1.144 . . . . 0.0 113.844 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.93 143.3 25.89 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.135 1.774 . . . . 0.0 112.363 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -70.54 108.65 2.27 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.833 2.355 . . . . 0.0 111.285 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 . . . . . 0 CA--C 1.543 0.696 0 C-N-CA 124.757 1.223 . . . . 0.0 112.495 -175.684 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.482 0 N-CA-C 115.429 0.931 . . . . 0.0 115.429 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 m -66.34 162.43 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.032 1.733 . . . . 0.0 112.428 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 147.53 53.31 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.22 1.01 . . . . 0.0 111.535 172.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.46 -44.59 86.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.049 0.94 . . . . 0.0 112.064 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -74.98 -56.33 4.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.3 p -113.72 123.21 49.33 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.211 1.404 . . . . 0.0 112.009 -172.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -79.59 67.97 5.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.248 -1.532 . . . . 0.0 113.41 -168.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.1 t -144.79 164.37 31.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.329 1.852 . . . . 0.0 110.966 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -104.77 21.63 16.59 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.52 1.928 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -65.74 -4.95 7.32 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.756 2.022 . . . . 0.0 115.229 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.79 152.51 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 126.067 1.747 . . . . 0.0 113.684 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.09 156.25 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.39 1.476 . . . . 0.0 112.735 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.4 mm -70.22 109.86 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.828 1.251 . . . . 0.0 109.276 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.9 t -94.08 -11.5 30.48 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.245 0.545 . . . . 0.0 112.01 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -160.18 129.66 5.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.135 2.174 . . . . 0.0 107.725 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.13 -32.33 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.612 1.101 . . . . 0.0 114.223 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.24 -23.55 26.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.371 1.069 . . . . 0.0 113.468 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.22 138.23 54.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.045 1.338 . . . . 0.0 112.181 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.36 155.06 23.72 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.258 1.423 . . . . 0.0 111.649 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -151.38 157.04 41.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 111.525 168.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -67.95 145.03 54.92 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.957 -0.464 . . . . 0.0 111.083 163.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -105.62 -55.52 2.31 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.077 1.351 . . . . 0.0 111.102 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 t -162.13 170.69 18.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.271 1.429 . . . . 0.0 111.323 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mt -128.97 163.0 26.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.37 1.468 . . . . 0.0 110.321 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -136.6 150.17 48.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 111.106 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.9 mtt -129.42 151.52 49.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.273 1.829 . . . . 0.0 111.206 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 CA--C 1.541 0.63 0 C-N-CA 126.252 1.821 . . . . 0.0 109.109 178.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t60 . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -59.52 -22.66 61.96 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.751 -1.218 . . . . 0.0 113.99 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -91.31 5.16 50.34 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.731 1.613 . . . . 0.0 113.584 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -54.84 -55.85 25.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 111.518 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -56.6 -48.8 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.046 0.538 . . . . 0.0 110.931 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.19 -57.27 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 125.271 1.428 . . . . 0.0 111.591 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 t -57.9 -43.97 86.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.983 1.313 . . . . 0.0 111.844 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -64.39 -39.01 93.02 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -54.7 44.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.473 1.509 . . . . 0.0 110.164 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -55.13 -48.59 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.279 1.431 . . . . 0.0 111.62 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.73 86.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.34 1.056 . . . . 0.0 113.242 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.92 -50.77 72.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.563 1.145 . . . . 0.0 111.331 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.23 -47.39 75.42 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.902 0.881 . . . . 0.0 112.924 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.44 -54.69 37.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.758 1.223 . . . . 0.0 111.435 173.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.01 -48.28 82.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.603 1.161 . . . . 0.0 112.909 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -60.69 -42.27 96.83 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.449 -0.782 . . . . 0.0 111.76 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.14 78.02 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.672 -0.643 . . . . 0.0 112.701 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -66.25 -32.47 73.91 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.664 1.12 . . . . 0.0 112.82 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.42 -37.74 60.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.898 0.879 . . . . 0.0 111.501 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.49 -2.13 40.67 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.188 1.395 . . . . 0.0 112.938 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 56.17 27.31 11.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.907 2.083 . . . . 0.0 112.69 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.46 -34.87 41.15 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.583 1.553 . . . . 0.0 111.942 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.7 m80 55.68 9.84 0.46 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.442 2.297 . . . . 0.0 115.586 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -153.61 171.17 19.2 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 128.452 2.701 . . . . 0.0 110.558 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 mt -103.72 162.1 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.86 1.264 . . . . 0.0 108.601 166.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -99.85 -57.67 2.09 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.148 -0.97 . . . . 0.0 109.027 156.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -144.21 153.7 42.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.886 1.274 . . . . 0.0 112.632 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -123.31 147.25 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.519 1.927 . . . . 0.0 109.874 163.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.51 119.03 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.99 1.316 . . . . 0.0 109.711 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 p -107.43 141.71 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.426 1.491 . . . . 0.0 110.959 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -107.71 119.83 5.9 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 126.093 1.806 . . . . 0.0 110.748 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.5 122.9 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.842 1.257 . . . . 0.0 108.608 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.02 143.64 46.76 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 123.295 0.474 . . . . 0.0 112.499 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -68.9 -12.79 61.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.467 -1.019 . . . . 0.0 112.872 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -116.8 8.85 13.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.958 2.103 . . . . 0.0 114.081 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -66.02 -14.61 61.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.68 13.55 2.7 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.549 2.34 . . . . 0.0 115.873 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtt -76.18 173.4 11.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.612 1.565 . . . . 0.0 111.714 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -124.48 102.65 7.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.734 1.214 . . . . 0.0 111.275 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -56.56 -33.92 66.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.567 1.547 . . . . 0.0 114.198 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.1 t -65.62 -44.45 86.48 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.674 1.19 . . . . 0.0 110.918 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.42 -45.16 94.36 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.072 -0.393 . . . . 0.0 110.308 171.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -59.74 -54.32 47.66 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.492 0.495 . . . . 0.0 111.847 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.22 -42.45 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -61.4 -32.54 72.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.167 0.44 . . . . 0.0 111.814 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.49 62.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.227 1.011 . . . . 0.0 111.615 173.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -53.33 -50.24 65.4 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.73 0.695 . . . . 0.0 112.484 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.45 -34.54 77.98 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.377 1.071 . . . . 0.0 113.156 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.6 m -64.31 -50.24 68.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.316 -0.865 . . . . 0.0 111.474 171.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.55 -8.18 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.022 1.329 . . . . 0.0 114.347 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -54.45 -27.75 39.5 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.968 1.307 . . . . 0.0 113.729 -172.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.2 6.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.492 1.917 . . . . 0.0 114.063 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.35 -18.56 50.85 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.006 1.722 . . . . 0.0 114.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 t -147.04 134.82 21.19 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.3 -28.39 66.73 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.852 1.261 . . . . 0.0 113.331 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.26 -33.75 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.019 0.827 . . . . 0.0 111.83 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.5 m -81.19 -24.91 37.16 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.769 1.627 . . . . 0.0 113.177 -173.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -69.33 -10.55 58.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.589 1.556 . . . . 0.0 114.671 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -137.29 57.92 1.73 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.828 1.651 . . . . 0.0 111.174 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.07 17.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.532 1.533 . . . . 0.0 113.337 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.01 141.29 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.112 1.765 . . . . 0.0 110.479 174.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tp -113.19 107.71 16.28 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.963 1.705 . . . . 0.0 109.506 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.44 145.13 24.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.518 1.127 . . . . 0.0 111.957 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mm -103.72 146.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.571 1.548 . . . . 0.0 110.755 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.48 121.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.821 2.049 . . . . 0.0 109.155 166.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.22 99.73 1.96 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.155 0.982 . . . . 0.0 110.045 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.76 136.75 43.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.889 1.275 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.59 164.16 10.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.727 0.811 . . . . 0.0 111.211 170.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.28 159.98 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.804 1.241 . . . . 0.0 112.257 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -153.2 139.54 18.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.204 0.601 . . . . 0.0 112.493 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.7 mt -110.26 101.04 9.82 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 127.944 2.498 . . . . 0.0 111.125 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.43 146.25 28.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 170.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.82 150.04 25.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.062 1.345 . . . . 0.0 113.009 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.54 -59.52 5.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.351 1.861 . . . . 0.0 114.789 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.16 58.04 1.73 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.658 1.583 . . . . 0.0 111.178 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.74 -154.33 0.51 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.424 1.89 . . . . 0.0 111.144 -165.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 p -149.96 16.85 0.87 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.52 1.528 . . . . 0.0 113.294 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -136.07 150.52 49.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.242 1.817 . . . . 0.0 111.8 -171.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.13 151.93 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.995 1.718 . . . . 0.0 110.304 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.75 -175.88 4.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.674 1.59 . . . . 0.0 111.565 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -118.89 145.37 37.72 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.443 1.097 . . . . 0.0 112.082 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.61 111.61 1.93 Allowed 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.816 3.011 . . . . 0.0 112.278 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 125.055 1.342 . . . . 0.0 112.137 177.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.66 0 N-CA-C 115.787 1.075 . . . . 0.0 115.787 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.65 167.08 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.547 1.939 . . . . 0.0 112.034 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.26 135.53 57.76 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.192 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.26 -39.82 88.13 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.394 1.077 . . . . 0.0 111.971 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -72.88 -60.92 2.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.805 1.242 . . . . 0.0 112.209 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.7 p -116.16 105.93 13.15 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.744 1.618 . . . . 0.0 111.375 -168.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 4.3 p80 -61.48 64.76 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 128.331 2.652 . . . . 0.0 116.14 -171.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 m -145.19 159.6 42.75 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 128.172 2.589 . . . . 0.0 111.163 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -95.06 21.39 7.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.101 2.161 . . . . 0.0 113.425 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.59 -4.91 9.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.551 1.941 . . . . 0.0 115.791 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.57 157.59 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.838 1.655 . . . . 0.0 114.462 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.25 154.34 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.145 1.778 . . . . 0.0 112.128 176.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.45 108.26 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.948 1.299 . . . . 0.0 108.386 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.4 t -93.81 -4.43 50.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 113.018 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -158.05 127.31 5.78 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.426 1.89 . . . . 0.0 108.135 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.31 19.08 79.8 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 115.548 0.979 . . . . 0.0 115.548 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -65.41 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.498 1.119 . . . . 0.0 112.274 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -146.73 170.94 15.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.416 1.887 . . . . 0.0 111.91 175.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -71.45 165.66 23.35 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -155.87 161.71 40.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.668 2.387 . . . . 0.0 111.203 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -69.99 157.0 38.31 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.29 -0.881 . . . . 0.0 111.211 157.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.05 -52.82 2.29 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.566 1.146 . . . . 0.0 111.595 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.2 t -159.36 171.96 18.84 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 112.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -133.51 163.49 29.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.069 1.748 . . . . 0.0 110.423 165.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.13 147.97 39.33 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.454 1.502 . . . . 0.0 110.44 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -128.01 161.59 28.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.219 1.408 . . . . 0.0 111.065 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.552 1.038 0 C-N-CA 126.612 1.965 . . . . 0.0 113.926 -175.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t60 . . . . . 0 CA--C 1.55 0.954 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -38.39 5.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.598 2.359 . . . . 0.0 112.312 174.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.94 -3.45 25.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.792 1.237 . . . . 0.0 114.115 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.3 p -52.61 -54.06 38.3 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.354 1.862 . . . . 0.0 112.432 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.58 -51.07 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.582 0.753 . . . . 0.0 110.406 171.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.8 -60.52 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.472 1.109 . . . . 0.0 111.642 -168.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -40.07 76.36 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.757 1.223 . . . . 0.0 112.074 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -60.79 -39.2 87.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.784 -0.573 . . . . 0.0 112.06 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -52.15 66.21 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.144 1.378 . . . . 0.0 111.456 172.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.75 -50.72 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.453 0.701 . . . . 0.0 111.014 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.04 79.34 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.375 1.07 . . . . 0.0 112.887 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.85 -41.9 97.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.077 1.351 . . . . 0.0 112.107 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -50.35 73.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.419 1.487 . . . . 0.0 111.826 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.24 -48.32 79.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.564 1.146 . . . . 0.0 112.067 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.1 -46.76 87.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.29 1.036 . . . . 0.0 112.905 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -60.57 -42.03 95.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.247 -0.908 . . . . 0.0 111.978 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.97 89.86 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -67.13 -31.04 71.23 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.366 0.985 . . . . 0.0 113.08 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -72.59 -42.87 64.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -81.04 -1.32 43.57 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.663 1.185 . . . . 0.0 113.367 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 56.18 29.55 14.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.864 2.065 . . . . 0.0 112.798 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.99 -41.1 23.27 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.626 1.57 . . . . 0.0 112.51 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 54.2 2.1 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.366 2.667 . . . . 0.0 117.339 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -143.03 161.87 36.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.312 2.645 . . . . 0.0 109.762 165.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mm -112.81 168.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.507 1.523 . . . . 0.0 110.127 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -122.73 -53.23 1.88 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.715 1.606 . . . . 0.0 111.173 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -158.4 108.81 2.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.228 1.011 . . . . 0.0 112.85 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.23 138.13 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.72 125.71 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.297 1.439 . . . . 0.0 109.613 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.0 136.89 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.584 1.554 . . . . 0.0 109.945 -169.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.88 107.12 2.92 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.635 1.588 . . . . 0.0 111.54 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mt -109.67 129.27 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.859 1.264 . . . . 0.0 108.36 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.24 46.88 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.989 -0.444 . . . . 0.0 112.582 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.13 -9.09 51.07 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.247 -1.149 . . . . 0.0 113.139 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -117.59 10.41 13.44 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.05 2.14 . . . . 0.0 114.088 170.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -68.42 -4.62 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.51 24.15 8.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.876 2.07 . . . . 0.0 115.556 171.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ptp -119.42 129.97 55.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.792 1.637 . . . . 0.0 111.602 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -73.99 111.0 8.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.706 1.203 . . . . 0.0 111.586 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -54.78 -29.64 54.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.361 1.465 . . . . 0.0 114.468 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.8 t -59.44 -37.58 78.49 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.645 1.578 . . . . 0.0 112.572 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.88 -45.11 79.08 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.633 -0.667 . . . . 0.0 109.79 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.86 -51.9 66.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.816 -171.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.64 -42.37 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -60.31 -34.34 73.66 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.135 0.425 . . . . 0.0 111.872 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.56 64.33 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.78 0.832 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.59 -46.7 73.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.359 1.063 . . . . 0.0 112.711 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -57.46 -42.0 81.66 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.884 1.674 . . . . 0.0 112.624 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -66.02 -54.03 31.17 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.696 1.198 . . . . 0.0 112.37 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -73.52 -2.23 21.83 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -32.44 17.45 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.258 1.423 . . . . 0.0 114.449 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.75 -18.3 65.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.448 1.899 . . . . 0.0 113.958 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -64.22 -8.72 13.49 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.721 1.609 . . . . 0.0 113.414 168.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 p -128.41 -173.92 3.09 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.584 2.354 . . . . 0.0 112.26 170.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.67 -48.91 4.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.199 0.6 . . . . 0.0 111.913 154.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -60.67 -29.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.764 1.226 . . . . 0.0 113.113 -170.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -13.62 57.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.473 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -63.68 -37.45 87.4 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.333 -0.854 . . . . 0.0 111.845 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -98.34 65.32 1.66 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.173 1.389 . . . . 0.0 110.691 165.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.01 155.07 42.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.214 1.405 . . . . 0.0 112.282 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.88 150.3 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 127.932 2.493 . . . . 0.0 108.511 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 tt -123.77 132.37 53.78 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.631 1.573 . . . . 0.0 111.302 -177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.38 107.83 11.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.429 1.891 . . . . 0.0 111.424 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.67 110.8 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.656 0.782 . . . . 0.0 111.583 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.35 129.31 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.051 1.74 . . . . 0.0 109.988 165.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -77.41 101.28 6.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.748 1.219 . . . . 0.0 110.817 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.58 142.04 33.18 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.858 1.263 . . . . 0.0 112.216 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.1 163.12 28.61 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 112.359 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.6 t -128.11 140.67 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.486 1.514 . . . . 0.0 110.41 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -133.71 134.01 42.51 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.599 1.16 . . . . 0.0 112.276 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.04 102.36 10.83 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.988 1.715 . . . . 0.0 111.797 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -87.49 148.09 25.09 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 127.001 2.12 . . . . 0.0 111.985 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 3.9 t -84.85 153.3 23.01 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.309 1.043 . . . . 0.0 113.221 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.26 -61.41 2.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.553 1.941 . . . . 0.0 114.576 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -130.05 58.45 1.66 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.722 1.609 . . . . 0.0 111.146 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.424 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.52 -157.95 0.82 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.96 2.104 . . . . 0.0 111.512 -165.012 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -149.65 37.69 0.74 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.87 1.268 . . . . 0.0 111.849 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -147.95 147.96 30.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.945 1.298 . . . . 0.0 112.586 -172.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.85 154.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 126.409 1.883 . . . . 0.0 110.748 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -144.61 178.23 8.12 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.899 1.279 . . . . 0.0 114.086 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.86 134.02 36.3 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 126.812 2.045 . . . . 0.0 111.144 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.36 118.3 5.27 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.986 2.457 . . . . 0.0 112.166 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 CA--C 1.546 0.807 0 C-N-CA 124.652 1.181 . . . . 0.0 112.233 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.206 0 N-CA-C 113.858 0.303 . . . . 0.0 113.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.52 161.87 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 126.674 1.989 . . . . 0.0 112.685 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.33 140.2 58.65 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 122.075 0.94 . . . . 0.0 111.375 169.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.52 -40.21 93.81 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.248 1.019 . . . . 0.0 111.93 -175.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -75.75 -56.53 4.59 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.441 1.096 . . . . 0.0 112.076 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.81 111.77 20.18 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.799 1.64 . . . . 0.0 112.061 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.48 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 6.7 p80 -65.25 57.67 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.663 2.785 . . . . 0.0 116.0 -171.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.5 m -140.4 155.64 46.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.482 2.313 . . . . 0.0 111.296 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -88.6 20.62 3.32 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 126.027 1.731 . . . . 0.0 113.638 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.74 -4.17 8.4 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.1 156.65 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.786 1.635 . . . . 0.0 114.409 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.62 156.58 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.542 1.937 . . . . 0.0 111.93 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.483 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.8 mp -76.55 113.14 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.033 1.333 . . . . 0.0 108.544 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 t -95.07 -12.24 26.88 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 0.0 112.613 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.95 134.11 9.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 126.643 1.977 . . . . 0.0 107.61 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.62 5.97 73.99 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -64.3 -45.9 85.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.296 1.839 . . . . 0.0 112.727 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -136.18 162.52 32.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.66 1.584 . . . . 0.0 112.595 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.0 ptm -78.48 164.6 24.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.01 1.324 . . . . 0.0 114.391 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -148.78 165.31 31.83 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.979 2.112 . . . . 0.0 112.111 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.9 156.81 31.8 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 164.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.56 -45.46 2.19 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.853 1.261 . . . . 0.0 112.249 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -158.8 169.3 24.68 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.322 1.049 . . . . 0.0 112.55 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mp -138.36 98.65 3.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.106 1.763 . . . . 0.0 107.97 164.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -75.01 132.01 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.857 0.863 . . . . 0.0 108.881 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.5 ptp -143.02 136.92 28.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.21 1.404 . . . . 0.0 110.771 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.865 0 C-N-CA 126.021 1.728 . . . . 0.0 112.681 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.1 -17.29 64.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -103.5 -3.05 25.85 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.153 1.381 . . . . 0.0 113.541 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -58.4 -50.24 74.38 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.208 1.003 . . . . 0.0 110.9 173.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -55.74 -52.74 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.36 -59.44 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.751 1.62 . . . . 0.0 111.028 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 t -58.97 -41.52 87.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.195 1.398 . . . . 0.0 111.726 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 t -61.2 -52.49 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.708 0.803 . . . . 0.0 111.74 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -56.37 20.92 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.953 1.301 . . . . 0.0 110.517 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.72 -48.61 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.867 1.667 . . . . 0.0 111.711 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.65 92.18 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.95 -46.95 87.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.756 . . . . 0.0 111.443 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -52.76 -49.32 65.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.383 1.473 . . . . 0.0 112.197 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.64 -36.9 79.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.945 1.298 . . . . 0.0 113.184 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -46.28 77.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -61.5 -41.56 97.48 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.09 0.556 . . . . 0.0 111.932 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.71 53.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.513 0.725 . . . . 0.0 112.318 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -62.1 -32.29 72.83 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -73.06 -37.75 66.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.982 0.913 . . . . 0.0 111.311 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -81.99 -1.34 47.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.727 1.611 . . . . 0.0 113.489 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.67 32.63 17.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.905 2.082 . . . . 0.0 112.676 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.29 59.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -171.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 56.33 4.15 0.13 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.461 2.304 . . . . 0.0 116.461 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -163.67 170.49 17.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.655 2.382 . . . . 0.0 111.409 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -131.52 151.04 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.81 2.044 . . . . 0.0 109.442 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.24 -60.4 1.8 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.405 0.682 . . . . 0.0 110.077 166.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -154.16 165.35 36.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 m -126.63 118.03 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.093 2.157 . . . . 0.0 109.779 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -91.27 127.58 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.279 1.431 . . . . 0.0 109.853 -173.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.17 121.57 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.544 1.137 . . . . 0.0 110.974 -173.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.21 119.71 5.53 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.618 1.58 . . . . 0.0 112.038 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.0 mt -128.81 129.61 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.794 1.637 . . . . 0.0 109.941 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.57 143.72 46.34 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 123.593 0.616 . . . . 0.0 112.831 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -28.63 49.53 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.727 -1.455 . . . . 0.0 113.647 -173.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -93.46 1.49 56.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.993 2.117 . . . . 0.0 113.9 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -66.7 -21.42 66.09 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.25 22.62 3.76 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.835 2.054 . . . . 0.0 115.144 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -58.19 136.17 57.22 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.843 1.257 . . . . 0.0 112.243 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.72 61.45 1.39 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.47 1.908 . . . . 0.0 111.94 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -53.96 -33.54 57.21 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.133 2.573 . . . . 0.0 114.715 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -61.87 -44.1 97.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.167 1.387 . . . . 0.0 112.112 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -66.54 -42.91 86.47 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.628 -0.67 . . . . 0.0 110.094 172.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.72 -54.76 43.48 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.681 -173.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.72 -42.78 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -61.32 -32.14 72.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.855 0.359 . . . . 0.0 111.891 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -46.44 58.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.231 1.012 . . . . 0.0 111.645 173.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -52.56 -47.9 66.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.587 0.755 . . . . 0.0 112.433 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.12 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.324 1.05 . . . . 0.0 112.549 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 m -58.54 -43.47 89.3 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.028 -1.045 . . . . 0.0 111.895 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -81.99 -2.39 51.42 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.265 1.426 . . . . 0.0 114.329 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -61.11 -25.97 67.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.512 1.506 . . . . 0.0 113.735 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.54 -22.62 66.16 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.917 1.687 . . . . 0.0 113.378 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.31 -16.49 59.76 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.3 m -134.03 115.86 14.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.599 1.56 . . . . 0.0 110.031 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.44 -31.43 71.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -164.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 m -72.7 -26.04 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.175 1.79 . . . . 0.0 112.524 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.1 -15.69 40.37 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.669 1.588 . . . . 0.0 112.981 -171.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -32.97 62.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.569 1.077 . . . . 0.0 113.462 173.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -87.15 -9.2 55.87 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.974 1.31 . . . . 0.0 114.217 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 162.59 28.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.7 mt -135.36 140.91 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 127.384 2.274 . . . . 0.0 108.365 172.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 129.75 34.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.632 0.773 . . . . 0.0 109.598 173.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -118.91 85.2 2.32 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.482 1.513 . . . . 0.0 111.61 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.69 129.69 36.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 111.34 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.62 118.17 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.951 2.1 . . . . 0.0 110.059 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -75.47 96.07 3.4 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.624 1.97 . . . . 0.0 112.522 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.12 130.79 35.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.218 1.407 . . . . 0.0 112.645 176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -60.71 131.7 51.54 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.283 1.033 . . . . 0.0 110.776 166.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.93 153.07 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.917 1.287 . . . . 0.0 110.733 169.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.53 145.71 31.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.763 0.825 . . . . 0.0 113.153 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.23 117.89 30.8 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.684 2.393 . . . . 0.0 110.434 -173.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -98.96 156.39 16.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.852 0.861 . . . . 0.0 111.949 169.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.2 t -80.54 160.5 25.16 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.81 0.814 . . . . 0.0 112.048 168.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -66.1 -69.95 0.27 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.911 2.085 . . . . 0.0 113.906 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.16 59.01 1.09 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.257 1.823 . . . . 0.0 110.659 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.69 -155.24 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.942 2.097 . . . . 0.0 110.608 -165.044 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 p -147.9 18.48 1.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.696 1.598 . . . . 0.0 113.309 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -131.26 152.58 50.39 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.249 1.42 . . . . 0.0 113.378 -170.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.4 t -146.0 137.9 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.962 2.505 . . . . 0.0 109.602 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -142.97 177.86 8.07 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.311 1.445 . . . . 0.0 113.199 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 143.28 26.4 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 125.748 1.619 . . . . 0.0 112.146 177.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.18 113.8 3.8 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.12 2.547 . . . . 0.0 113.253 -167.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.4 m120 . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 126.678 1.991 . . . . 0.0 109.966 169.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.761 0 N-CA-C 115.441 0.936 . . . . 0.0 115.441 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -69.17 168.66 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.698 1.999 . . . . 0.0 113.403 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -62.11 135.58 57.58 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 121.994 0.902 . . . . 0.0 110.858 167.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.99 -39.82 91.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.251 1.02 . . . . 0.0 112.006 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -72.49 -59.35 2.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.082 1.353 . . . . 0.0 112.277 173.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -117.75 112.32 20.28 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.307 1.443 . . . . 0.0 111.676 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -74.87 68.38 1.75 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -163.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -141.58 160.9 39.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.161 2.184 . . . . 0.0 111.361 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -91.25 13.73 16.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.9 2.08 . . . . 0.0 113.924 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -65.49 -8.01 17.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.253 1.821 . . . . 0.0 115.847 -173.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.1 m -54.84 151.5 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.987 1.715 . . . . 0.0 113.77 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.95 154.19 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.676 1.59 . . . . 0.0 112.261 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -78.7 109.08 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.589 1.156 . . . . 0.0 108.41 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.02 -9.33 53.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.91 0.884 . . . . 0.0 112.809 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -161.93 126.97 3.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.545 . . . . 0.0 108.785 -167.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.83 12.37 81.45 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.468 1.033 . . . . 0.0 115.375 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -57.74 -37.68 74.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.5 1.52 . . . . 0.0 112.862 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -145.76 171.57 14.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.175 2.19 . . . . 0.0 110.703 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.96 152.46 24.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.211 1.004 . . . . 0.0 111.909 -176.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -160.46 165.67 30.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.875 1.27 . . . . 0.0 113.273 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.95 155.61 13.08 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.36 0.664 . . . . 0.0 111.993 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -128.66 -49.01 1.26 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.653 1.181 . . . . 0.0 112.015 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.4 p -164.06 179.32 7.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.304 1.842 . . . . 0.0 111.418 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 mp -137.07 163.78 29.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.589 1.156 . . . . 0.0 110.668 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.69 146.65 38.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.987 1.315 . . . . 0.0 111.784 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.71 151.01 51.96 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.129 1.772 . . . . 0.0 111.342 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 125.35 1.46 . . . . 0.0 109.615 178.423 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 . . . . . 0 CA--C 1.543 0.7 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -52.55 -59.42 4.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.666 1.586 . . . . 0.0 113.393 -169.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -87.27 -7.4 57.89 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -60.97 -50.2 74.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.097 0.959 . . . . 0.0 111.195 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 t -54.96 -51.24 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.465 0.706 . . . . 0.0 110.689 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.55 -58.86 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 125.052 1.341 . . . . 0.0 111.308 -168.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.1 t -56.7 -41.62 77.71 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.769 1.228 . . . . 0.0 112.213 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.7 t -60.61 -48.09 83.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.5 0.72 . . . . 0.0 112.287 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.37 -50.94 71.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.347 1.059 . . . . 0.0 112.459 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.68 -49.39 68.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.426 1.09 . . . . 0.0 110.883 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.72 95.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.827 0.851 . . . . 0.0 113.247 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.27 -45.34 88.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.203 1.801 . . . . 0.0 111.648 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.5 -49.78 76.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.281 1.032 . . . . 0.0 111.825 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.19 90.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.875 0.87 . . . . 0.0 112.328 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -60.59 -42.52 96.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.485 1.114 . . . . 0.0 113.35 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -69.37 -39.01 78.29 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.135 -0.978 . . . . 0.0 112.626 170.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -36.27 82.42 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -34.38 77.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.345 0.975 . . . . 0.0 112.773 170.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -76.84 -46.42 24.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.346 1.458 . . . . 0.0 110.81 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -77.56 -2.49 35.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.194 1.398 . . . . 0.0 113.097 172.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 56.37 27.67 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 112.777 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.73 55.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.727 1.611 . . . . 0.0 112.519 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m80 54.25 4.65 0.06 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 128.219 2.608 . . . . 0.0 117.402 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.88 146.01 17.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.716 2.006 . . . . 0.0 111.394 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.3 147.41 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.235 1.014 . . . . 0.0 109.488 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -89.9 -64.28 1.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.282 1.033 . . . . 0.0 110.083 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -143.62 113.07 6.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.184 1.394 . . . . 0.0 111.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -73.47 144.11 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 162.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -128.5 118.1 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.684 1.194 . . . . 0.0 109.793 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -125.21 145.16 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.986 1.714 . . . . 0.0 110.067 -174.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -117.3 135.37 11.82 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 125.006 1.289 . . . . 0.0 111.233 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -133.11 132.4 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.756 1.622 . . . . 0.0 108.393 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.95 146.8 47.06 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 121.547 0.526 . . . . 0.0 113.712 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -67.26 -17.47 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.365 1.466 . . . . 0.0 112.86 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -111.75 0.21 16.18 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.388 1.875 . . . . 0.0 113.903 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.2 m -70.6 -15.63 62.77 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.405 1.082 . . . . 0.0 113.834 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.29 3.05 0.23 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 128.337 2.655 . . . . 0.0 117.334 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.8 mtm -68.99 119.52 13.42 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.818 1.247 . . . . 0.0 111.002 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -69.5 93.56 0.69 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.406 1.482 . . . . 0.0 112.71 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -51.54 -36.08 43.51 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.829 2.052 . . . . 0.0 114.332 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -62.64 -39.37 93.65 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.693 1.597 . . . . 0.0 112.982 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.49 -43.43 63.66 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.362 -0.836 . . . . 0.0 109.705 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -58.13 -53.7 55.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.577 0.751 . . . . 0.0 111.629 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.96 -42.98 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 172.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -62.12 -31.37 71.83 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.237 0.472 . . . . 0.0 111.816 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -48.03 64.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.043 0.937 . . . . 0.0 111.677 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.76 -45.96 85.2 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.945 0.898 . . . . 0.0 112.225 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.92 -50.0 75.69 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 0.0 111.51 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.1 m -54.61 -52.01 63.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.992 0.917 . . . . 0.0 111.587 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -79.67 9.62 4.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -31.29 19.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.189 1.359 . . . . 0.0 113.128 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.62 -20.63 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.823 1.649 . . . . 0.0 114.383 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.57 -18.0 64.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.8 1.24 . . . . 0.0 113.207 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -151.07 123.29 8.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.642 1.177 . . . . 0.0 112.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.52 -27.9 51.45 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.404 1.082 . . . . 0.0 113.31 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 m -66.5 -28.82 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.487 1.115 . . . . 0.0 113.161 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.19 -23.86 28.15 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.099 1.76 . . . . 0.0 113.619 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.12 -11.32 38.8 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.44 1.37 11.76 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.238 1.815 . . . . 0.0 113.519 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.66 169.17 17.98 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.138 1.375 . . . . 0.0 113.445 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.0 mm -132.92 157.52 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 127.353 2.261 . . . . 0.0 108.967 169.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tp -121.39 103.79 9.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.131 1.773 . . . . 0.0 110.717 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.77 124.21 32.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.806 1.642 . . . . 0.0 111.815 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.8 mt -116.91 99.12 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.505 1.122 . . . . 0.0 111.264 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.4 t -69.84 127.77 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 127.011 2.124 . . . . 0.0 111.311 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -79.01 100.03 7.13 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.107 1.363 . . . . 0.0 110.811 168.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -83.06 140.5 32.64 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.498 1.119 . . . . 0.0 112.671 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.72 160.02 32.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.592 0.757 . . . . 0.0 111.636 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.83 140.27 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.285 1.434 . . . . 0.0 110.209 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.24 138.15 39.81 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.4 mt -117.96 97.29 5.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 127.129 2.172 . . . . 0.0 112.876 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 152.77 33.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 126.935 2.094 . . . . 0.0 112.338 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.3 t -80.27 163.37 24.03 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 121.949 0.88 . . . . 0.0 112.601 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -68.4 -67.26 0.48 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.584 1.954 . . . . 0.0 114.057 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.27 60.52 1.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.782 1.633 . . . . 0.0 111.056 -169.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.431 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -146.24 -159.78 1.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.995 2.118 . . . . 0.0 111.254 -163.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -150.52 63.08 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.482 1.113 . . . . 0.0 110.353 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -155.74 154.57 31.65 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.393 1.077 . . . . 0.0 113.239 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 p -151.04 140.56 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 127.263 2.225 . . . . 0.0 111.146 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.76 -178.44 5.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.832 2.053 . . . . 0.0 111.822 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -110.02 146.0 33.26 Favored Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 124.703 1.201 . . . . 0.0 112.564 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -65.52 101.23 0.43 Allowed 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.791 2.994 . . . . 0.0 112.008 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 . . . . . 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 112.114 -177.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.633 0 N-CA-C 116.568 1.387 . . . . 0.0 116.568 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.17 165.51 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.234 1.414 . . . . 0.0 112.773 169.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.04 140.41 58.84 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 122.077 0.942 . . . . 0.0 110.858 169.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.46 -38.29 89.23 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.785 0.834 . . . . 0.0 111.839 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.29 -56.41 4.58 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.368 1.067 . . . . 0.0 112.468 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.66 124.44 49.73 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.225 1.41 . . . . 0.0 112.295 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -78.54 69.41 4.72 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.356 -1.465 . . . . 0.0 113.545 -168.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -145.93 159.27 43.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.168 2.187 . . . . 0.0 110.824 172.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -99.58 22.53 10.71 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.908 1.683 . . . . 0.0 113.079 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.79 -3.03 13.77 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.313 2.245 . . . . 0.0 115.792 -173.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.4 m -53.95 152.46 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.956 1.703 . . . . 0.0 114.399 -174.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 155.76 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.244 1.818 . . . . 0.0 112.012 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.09 111.36 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.679 1.192 . . . . 0.0 108.448 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.5 t -92.26 -13.03 31.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.851 0.86 . . . . 0.0 112.414 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -157.57 125.65 5.45 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 127.354 2.262 . . . . 0.0 107.567 -170.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.78 38.84 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 115.71 1.044 . . . . 0.0 115.71 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -58.47 -48.9 79.25 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.83 1.315 . . . . 0.0 112.333 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -153.38 167.56 29.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.66 1.584 . . . . 0.0 112.52 -172.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.5 ttt -66.91 147.77 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.221 1.408 . . . . 0.0 112.402 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -141.9 152.72 43.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.424 1.49 . . . . 0.0 112.503 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.14 115.77 17.21 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.601 1.561 . . . . 0.0 108.781 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.01 -64.5 0.93 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.952 0.796 . . . . 0.0 111.199 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -159.27 171.26 20.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.639 1.576 . . . . 0.0 113.113 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.02 115.39 17.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.613 1.565 . . . . 0.0 109.629 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -78.66 107.47 11.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.785 0.834 . . . . 0.0 108.841 167.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.48 150.78 41.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.915 0.886 . . . . 0.0 111.435 173.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 123.737 0.815 . . . . 0.0 110.574 173.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 . . . . . 0 N--CA 1.471 0.618 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.26 -29.15 65.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.683 1.193 . . . . 0.0 113.656 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -71.82 -5.88 37.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.185 1.394 . . . . 0.0 114.172 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.6 t -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.502 1.121 . . . . 0.0 111.817 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.57 -50.66 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.378 0.671 . . . . 0.0 110.556 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.43 -58.23 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.683 1.593 . . . . 0.0 111.554 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.9 t -57.31 -42.84 82.58 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.289 1.436 . . . . 0.0 111.97 175.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -62.18 -48.39 80.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.33 0.652 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.06 -54.36 36.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.082 1.753 . . . . 0.0 110.525 176.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -49.95 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.319 1.448 . . . . 0.0 111.72 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.42 85.67 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.33 -47.52 81.86 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.631 0.772 . . . . 0.0 111.506 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 t -54.3 -48.66 71.03 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.615 1.166 . . . . 0.0 112.162 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -53.86 -59.5 4.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.321 1.448 . . . . 0.0 111.911 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.37 75.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.926 1.29 . . . . 0.0 113.22 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.36 -42.85 96.65 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.459 -0.775 . . . . 0.0 112.187 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.75 72.99 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.631 -0.668 . . . . 0.0 112.475 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -66.65 -26.04 66.87 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.507 1.049 . . . . 0.0 113.672 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -71.07 -42.88 68.81 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.314 1.046 . . . . 0.0 110.748 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -79.49 -3.83 48.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.184 1.794 . . . . 0.0 113.189 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 61.74 23.91 14.13 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.725 2.01 . . . . 0.0 112.7 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.84 -43.87 29.05 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.041 1.336 . . . . 0.0 112.747 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 56.73 5.93 0.26 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.737 2.415 . . . . 0.0 116.751 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.13 170.23 21.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.52 2.728 . . . . 0.0 110.612 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -129.35 153.98 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.447 1.499 . . . . 0.0 110.459 -166.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.04 -67.08 0.85 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.093 0.957 . . . . 0.0 108.475 162.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -145.04 169.8 17.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.726 1.61 . . . . 0.0 113.938 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.28 126.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 127.711 2.404 . . . . 0.0 108.7 168.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.12 127.88 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.208 1.403 . . . . 0.0 109.986 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.9 t -131.43 122.7 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.348 1.059 . . . . 0.0 111.617 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.11 137.11 13.69 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.678 1.609 . . . . 0.0 113.211 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mt -135.0 131.54 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.984 2.113 . . . . 0.0 108.731 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.49 128.91 46.45 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 123.73 0.681 . . . . 0.0 113.067 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -68.94 -18.91 64.16 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.305 -1.115 . . . . 0.0 113.8 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.56 -4.75 23.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.101 1.361 . . . . 0.0 113.928 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -78.84 -14.27 59.34 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.919 1.288 . . . . 0.0 113.269 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.03 16.86 2.36 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.887 2.475 . . . . 0.0 116.934 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.36 136.0 55.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.181 0.993 . . . . 0.0 111.614 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -72.8 86.88 1.26 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.274 1.43 . . . . 0.0 112.427 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -26.59 45.6 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -57.99 -38.89 76.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.007 1.323 . . . . 0.0 112.062 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.06 -43.95 81.39 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.654 -0.654 . . . . 0.0 110.0 172.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.9 -53.27 59.81 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -170.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -41.79 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t -62.68 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.02 68.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.992 0.917 . . . . 0.0 111.42 173.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -54.47 30.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.838 0.855 . . . . 0.0 111.512 170.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -71.95 -18.59 62.0 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.7 m -67.83 -56.86 7.56 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.175 -0.953 . . . . 0.0 110.981 166.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -77.01 -9.65 58.84 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.82 -30.77 15.15 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.288 1.435 . . . . 0.0 114.268 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.75 -30.84 15.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.909 2.084 . . . . 0.0 114.122 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.44 -16.72 56.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.34 1.456 . . . . 0.0 114.388 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -138.03 125.49 21.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.54 1.536 . . . . 0.0 113.022 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.77 -34.46 71.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.482 1.113 . . . . 0.0 112.668 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -32.64 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.262 0.625 . . . . 0.0 111.479 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.5 m -76.26 -23.6 54.47 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 125.531 1.533 . . . . 0.0 112.72 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -68.17 -14.16 62.77 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.913 1.285 . . . . 0.0 113.696 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -129.28 76.55 1.73 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.65 1.98 . . . . 0.0 109.571 170.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.92 166.29 33.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.753 2.021 . . . . 0.0 111.904 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.6 mt -134.84 151.39 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 126.114 1.766 . . . . 0.0 109.107 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tt -118.5 110.68 17.69 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.879 1.272 . . . . 0.0 110.359 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.86 108.41 20.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.263 1.825 . . . . 0.0 111.218 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mm -68.8 140.13 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.448 1.099 . . . . 0.0 110.381 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -128.59 123.94 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.052 1.741 . . . . 0.0 110.185 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.81 96.73 4.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.649 0.78 . . . . 0.0 110.508 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.49 144.41 55.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 110.75 169.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.95 164.03 7.03 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.573 -0.705 . . . . 0.0 111.484 166.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.13 160.58 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.964 0.906 . . . . 0.0 111.179 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -157.21 144.22 18.47 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.503 0.721 . . . . 0.0 110.959 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.543 HD13 ' HD3' ' A' ' 85' ' ' PRO . 10.2 mp -123.83 124.6 43.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.914 1.685 . . . . 0.0 111.119 -175.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -96.81 156.11 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.962 0.905 . . . . 0.0 111.928 171.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.7 t -84.2 155.06 22.71 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.879 0.872 . . . . 0.0 111.597 168.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -70.23 0.24 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.02 2.128 . . . . 0.0 113.821 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -115.07 59.86 0.7 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.101 1.76 . . . . 0.0 111.66 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.89 -153.27 0.46 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.162 2.585 . . . . 0.0 109.627 -168.126 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 t -147.42 14.24 1.1 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 168.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -127.6 158.94 36.16 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.729 1.212 . . . . 0.0 113.694 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -146.79 133.22 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.703 2.401 . . . . 0.0 109.982 -168.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.19 -177.78 6.13 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.057 1.343 . . . . 0.0 114.127 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.01 142.26 24.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.835 1.654 . . . . 0.0 113.011 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.543 ' HD3' HD13 ' A' ' 74' ' ' LEU . 54.9 Cg_endo -72.98 109.71 2.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.394 3.396 . . . . 0.0 112.714 -175.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 m120 . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 126.858 2.063 . . . . 0.0 109.64 172.119 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.566 0 N-CA-C 116.391 1.317 . . . . 0.0 116.391 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 m -58.79 167.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 118.657 1.229 . . . . 0.0 112.658 167.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.32 161.34 3.38 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.358 1.463 . . . . 0.0 111.975 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.43 -46.16 18.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.553 . . . . 0.0 111.448 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -79.28 -75.41 0.24 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 111.766 176.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.2 p -71.35 176.07 4.91 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.097 1.359 . . . . 0.0 111.657 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -123.09 44.23 2.73 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.602 -1.311 . . . . 0.0 113.716 -169.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.9 m -131.53 155.67 47.05 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.695 1.198 . . . . 0.0 111.964 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -92.13 15.64 13.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.214 2.206 . . . . 0.0 113.711 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -0.11 5.32 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.692 1.997 . . . . 0.0 115.788 -176.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.47 149.02 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.598 1.159 . . . . 0.0 112.842 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.36 152.05 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.516 1.527 . . . . 0.0 111.846 178.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.3 mp -73.57 115.06 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.538 1.535 . . . . 0.0 108.227 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -101.16 -6.31 24.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.458 1.103 . . . . 0.0 112.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -154.45 121.83 5.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.598 1.959 . . . . 0.0 108.836 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 95.77 2.94 61.06 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.851 1.215 . . . . 0.0 115.511 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.3 -33.32 67.56 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.411 1.485 . . . . 0.0 114.276 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -137.35 154.13 50.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.563 1.545 . . . . 0.0 110.768 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ptm -76.63 147.43 37.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.331 0.652 . . . . 0.0 111.987 170.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -150.18 153.15 35.79 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.654 1.582 . . . . 0.0 111.903 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -61.3 153.71 25.77 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.888 -0.507 . . . . 0.0 112.198 167.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -118.51 -51.99 2.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.075 1.35 . . . . 0.0 111.916 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -160.79 173.65 15.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.363 1.065 . . . . 0.0 112.19 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.64 160.33 23.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.544 1.538 . . . . 0.0 109.561 166.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -126.98 143.69 51.22 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.924 1.69 . . . . 0.0 110.108 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.7 mtt -134.59 157.95 45.27 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.784 1.634 . . . . 0.0 110.8 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.2 mt . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 125.188 1.395 . . . . 0.0 111.395 -178.45 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 CA--C 1.546 0.819 0 N-CA-C 112.621 0.601 . . . . 0.0 112.621 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -56.12 -44.49 79.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.014 1.325 . . . . 0.0 112.335 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -86.04 0.61 52.96 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.821 1.248 . . . . 0.0 114.08 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.0 t -58.1 -55.02 40.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.033 0.933 . . . . 0.0 111.178 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.23 -49.17 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.659 0.783 . . . . 0.0 111.06 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.11 -61.79 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 125.372 1.469 . . . . 0.0 111.38 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.7 t -59.9 -44.25 94.37 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.056 1.342 . . . . 0.0 111.619 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 m -60.94 -48.59 81.11 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.352 0.661 . . . . 0.0 112.248 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.57 -52.85 63.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.052 0.842 . . . . 0.0 112.373 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -51.29 -48.27 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.196 0.999 . . . . 0.0 111.127 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.94 88.1 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -43.78 97.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.183 1.393 . . . . 0.0 111.788 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.51 -48.33 82.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.427 1.491 . . . . 0.0 112.361 173.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -56.26 -48.59 76.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.146 0.978 . . . . 0.0 111.238 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.39 -47.78 78.24 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.976 1.31 . . . . 0.0 112.409 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -61.87 -40.8 96.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.126 -0.984 . . . . 0.0 112.408 173.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.4 92.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.325 0.966 . . . . 0.0 112.317 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -19.38 61.72 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -81.59 -42.68 19.73 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.695 1.198 . . . . 0.0 111.023 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -81.0 -5.54 57.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.138 1.775 . . . . 0.0 113.028 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 63.46 21.68 12.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.904 2.082 . . . . 0.0 112.886 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.88 69.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.725 1.21 . . . . 0.0 112.376 -173.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.4 m80 55.01 18.06 2.11 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.716 2.006 . . . . 0.0 114.699 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -165.56 174.71 9.6 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 129.367 3.067 . . . . 0.0 110.115 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -114.47 177.35 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 126.299 1.84 . . . . 0.0 107.985 170.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -118.27 -62.53 1.53 Allowed 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.283 -1.511 . . . . 0.0 110.011 160.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -153.82 107.41 2.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.975 0.91 . . . . 0.0 112.341 -168.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -78.6 147.68 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.927 0.891 . . . . 0.0 110.86 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.73 114.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.242 1.417 . . . . 0.0 109.653 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.3 t -131.19 117.05 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.06 1.344 . . . . 0.0 111.38 -171.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.34 134.84 13.95 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.043 1.306 . . . . 0.0 112.528 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -130.13 131.14 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.371 1.869 . . . . 0.0 108.314 174.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.3 143.74 48.62 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.864 0.745 . . . . 0.0 113.925 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.01 -16.73 63.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.591 1.157 . . . . 0.0 112.877 -173.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -113.69 3.23 15.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.422 1.889 . . . . 0.0 113.944 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -68.55 -23.95 64.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.944 0.898 . . . . 0.0 112.985 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.27 9.97 0.4 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 128.121 2.568 . . . . 0.0 116.727 173.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.72 154.87 41.43 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.139 -0.975 . . . . 0.0 112.94 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.99 85.78 4.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.98 1.312 . . . . 0.0 111.514 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -54.14 -28.24 38.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.255 1.822 . . . . 0.0 114.63 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 t -55.76 -42.47 75.5 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.679 1.592 . . . . 0.0 112.28 172.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.312 0.505 . . . . 0.0 110.69 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.04 -50.37 73.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 110.968 -174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -41.35 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 p -66.87 -31.65 72.39 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.078 0.399 . . . . 0.0 111.911 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.04 -49.79 64.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.507 1.123 . . . . 0.0 111.123 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.34 -55.28 19.26 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.756 0.823 . . . . 0.0 111.567 172.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.42 -42.47 78.1 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.527 1.531 . . . . 0.0 113.338 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -63.3 -44.24 95.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.51 0.724 . . . . 0.0 112.053 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -83.57 -25.48 30.9 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -63.1 -14.98 54.94 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.54 -9.74 14.67 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.543 1.537 . . . . 0.0 114.525 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -62.79 -18.62 63.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.517 1.527 . . . . 0.0 113.82 172.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -137.52 174.0 11.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.917 1.687 . . . . 0.0 111.396 173.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.27 -46.34 9.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.25 1.42 . . . . 0.0 111.549 173.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -62.97 -28.45 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 125.191 1.396 . . . . 0.0 112.044 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.72 -21.32 59.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.55 2.34 . . . . 0.0 113.418 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -81.9 -36.12 28.45 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -77.52 74.94 4.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.674 1.19 . . . . 0.0 110.198 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.24 158.05 43.86 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.864 1.265 . . . . 0.0 112.538 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.3 mt -131.7 148.4 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.528 2.331 . . . . 0.0 107.719 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -116.61 105.24 12.22 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.967 1.307 . . . . 0.0 111.326 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -80.82 105.9 12.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.451 1.1 . . . . 0.0 111.595 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.29 105.59 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 109.341 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.34 130.58 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.245 1.418 . . . . 0.0 110.304 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.68 94.06 2.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.745 1.218 . . . . 0.0 111.45 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.45 123.94 26.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.581 1.153 . . . . 0.0 110.911 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 160.02 12.8 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.224 -0.923 . . . . 0.0 111.991 170.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.79 159.36 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.025 0.93 . . . . 0.0 112.344 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -151.46 140.23 20.84 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.53 98.02 6.98 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.567 2.347 . . . . 0.0 111.591 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.82 150.09 29.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.861 1.665 . . . . 0.0 111.857 167.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 3.6 t -90.1 154.24 19.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.176 1.39 . . . . 0.0 112.872 174.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -62.34 -63.29 1.28 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.247 1.819 . . . . 0.0 114.493 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -128.76 60.1 1.53 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.698 1.599 . . . . 0.0 111.023 -170.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER -141.62 -156.83 0.71 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.889 2.076 . . . . 0.0 111.39 -165.369 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 t -151.01 33.33 0.59 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.887 1.275 . . . . 0.0 112.319 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -147.02 150.77 35.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.982 1.313 . . . . 0.0 112.486 -171.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.58 151.68 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 126.176 1.79 . . . . 0.0 110.848 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.75 -175.29 4.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.772 1.629 . . . . 0.0 112.03 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -113.89 145.69 34.03 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.791 1.236 . . . . 0.0 112.508 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.55 110.43 1.85 Allowed 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 124.096 3.198 . . . . 0.0 112.497 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 125.476 1.51 . . . . 0.0 111.633 177.036 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.596 0 N-CA-C 115.497 0.959 . . . . 0.0 115.497 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 m -64.84 162.74 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.092 1.757 . . . . 0.0 112.051 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -66.55 148.54 51.75 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.248 1.019 . . . . 0.0 111.428 172.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.44 -44.81 81.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.702 0.801 . . . . 0.0 111.967 -175.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -74.25 -56.42 4.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.669 1.188 . . . . 0.0 112.175 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.0 p -111.64 123.88 51.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.524 1.53 . . . . 0.0 111.527 -173.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.59 60.49 3.31 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.24 -1.537 . . . . 0.0 113.609 -168.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.3 m -138.48 155.95 47.97 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.043 2.137 . . . . 0.0 110.793 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -100.44 16.4 24.68 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.967 1.707 . . . . 0.0 113.279 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.52 -1.07 5.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.823 2.449 . . . . 0.0 115.984 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.0 m -56.11 154.35 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.464 1.506 . . . . 0.0 113.978 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.7 155.23 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.219 1.808 . . . . 0.0 111.854 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 mm -77.51 107.73 9.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.143 0.977 . . . . 0.0 108.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.6 t -90.41 -10.04 45.33 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.445 -0.784 . . . . 0.0 112.279 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -159.15 126.03 4.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.551 1.941 . . . . 0.0 108.414 -173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.05 22.45 59.26 Favored Glycine 0 CA--C 1.536 1.381 0 N-CA-C 114.832 0.693 . . . . 0.0 114.832 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -33.58 72.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 112.265 175.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -149.51 165.56 31.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.877 1.671 . . . . 0.0 111.748 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.1 ptm -69.43 144.99 53.15 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.18 0.592 . . . . 0.0 112.27 172.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -150.95 144.61 25.05 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.953 1.701 . . . . 0.0 111.516 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -61.25 149.68 37.01 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.677 -0.639 . . . . 0.0 112.723 167.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -105.2 -60.0 1.68 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.417 1.487 . . . . 0.0 110.319 170.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.4 p -155.8 165.86 35.24 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.459 1.504 . . . . 0.0 112.776 -169.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.7 mt -132.96 108.32 8.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.934 1.693 . . . . 0.0 109.313 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -77.15 143.36 39.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.432 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 62.2 mtt -131.59 140.19 49.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.717 1.607 . . . . 0.0 112.442 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.6 mt . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 125.742 1.617 . . . . 0.0 111.36 175.671 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.47 -26.48 68.55 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -84.71 -2.5 57.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 t -56.71 -50.11 73.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.16 -49.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.577 0.751 . . . . 0.0 110.892 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.49 -56.46 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.229 1.011 . . . . 0.0 111.015 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -57.88 -38.19 75.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.343 1.057 . . . . 0.0 112.003 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.5 t -62.6 -43.59 98.43 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.736 0.814 . . . . 0.0 111.863 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 HG21 ' A' ' 31' ' ' VAL . 4.6 tt -56.39 -50.15 72.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.676 1.19 . . . . 0.0 111.106 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.5 -49.41 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.227 0.922 . . . . 0.0 111.1 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.67 90.7 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.34 1.056 . . . . 0.0 113.018 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 mt -63.18 -50.89 68.56 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.048 1.339 . . . . 0.0 111.914 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.8 m -55.83 -46.16 78.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.294 0.952 . . . . 0.0 112.502 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.0 -56.92 13.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.545 1.138 . . . . 0.0 111.964 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.88 -48.28 82.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.129 0.972 . . . . 0.0 113.172 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -62.06 -38.43 88.75 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.149 -0.969 . . . . 0.0 112.18 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.41 72.21 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.82 0.736 . . . . 0.0 112.037 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.2 -31.84 73.21 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.444 1.02 . . . . 0.0 113.119 175.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -71.47 -40.24 70.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.399 1.079 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -79.3 -5.07 53.62 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.205 1.402 . . . . 0.0 113.32 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.86 31.51 19.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.818 2.047 . . . . 0.0 112.372 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.3 -33.12 29.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.497 1.519 . . . . 0.0 113.214 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 52.75 16.31 0.66 Allowed 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 126.887 2.075 . . . . 0.0 115.365 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -158.68 163.54 36.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.825 1.65 . . . . 0.0 111.498 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.4 mm -131.71 133.84 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.65 1.98 . . . . 0.0 107.857 168.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.66 -55.63 4.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 0.0 109.026 168.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -148.31 160.37 43.05 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 12' ' ' LEU . 2.2 p -129.92 113.53 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.911 2.484 . . . . 0.0 110.402 173.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 t -89.47 125.14 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.771 1.629 . . . . 0.0 110.123 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.19 122.0 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.855 1.262 . . . . 0.0 111.05 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.2 122.49 6.2 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.808 1.67 . . . . 0.0 111.72 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mt -125.8 122.21 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.204 1.402 . . . . 0.0 109.142 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.66 136.23 49.12 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.318 0.961 . . . . 0.0 112.738 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -68.37 -12.61 61.38 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.443 -1.034 . . . . 0.0 113.319 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -110.9 0.89 17.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.572 1.949 . . . . 0.0 114.21 173.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 m -70.96 -9.01 57.14 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.54 19.74 4.4 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.05 2.14 . . . . 0.0 115.459 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.79 136.39 54.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.789 1.236 . . . . 0.0 111.445 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -74.89 86.87 2.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.42 0.688 . . . . 0.0 109.672 163.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -58.67 -31.91 68.62 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.656 -1.277 . . . . 0.0 113.899 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.1 t -60.85 -44.94 96.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.631 1.572 . . . . 0.0 111.952 170.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.77 -49.06 79.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.901 0.88 . . . . 0.0 110.171 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.66 -51.33 67.6 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.75 -39.67 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -64.3 -30.3 71.35 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.03 -47.63 61.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.947 1.299 . . . . 0.0 110.805 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -52.13 -49.44 63.7 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.68 -0.637 . . . . 0.0 112.461 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.6 -24.77 67.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.22 1.808 . . . . 0.0 113.71 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.0 m -75.05 -63.47 1.26 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 170.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -77.35 -4.86 47.28 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -167.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -21.59 13.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.414 1.486 . . . . 0.0 114.864 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.32 -22.28 64.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.938 1.695 . . . . 0.0 114.237 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.62 -15.3 51.0 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.421 1.089 . . . . 0.0 113.347 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -131.04 -174.83 3.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.536 1.934 . . . . 0.0 111.01 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.7 tp -110.92 -41.86 4.14 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.631 1.572 . . . . 0.0 111.822 169.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -60.9 -23.44 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.818 1.247 . . . . 0.0 112.714 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.1 m -78.31 -28.67 47.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.221 1.409 . . . . 0.0 113.295 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -71.53 -11.68 60.99 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -124.77 7.48 8.13 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.754 1.622 . . . . 0.0 113.674 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.24 170.03 16.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.483 1.513 . . . . 0.0 113.313 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.4 mt -128.17 152.81 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.936 1.694 . . . . 0.0 109.885 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tt -112.79 111.09 21.62 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.915 1.286 . . . . 0.0 110.693 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.11 96.95 10.05 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.434 1.094 . . . . 0.0 111.579 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.17 107.79 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.213 1.005 . . . . 0.0 109.933 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.0 t -93.96 117.91 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.499 1.52 . . . . 0.0 109.953 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.46 97.49 2.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.016 1.326 . . . . 0.0 110.816 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -77.96 116.08 18.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.423 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.66 140.21 58.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.419 0.688 . . . . 0.0 110.939 174.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.03 161.04 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.773 1.229 . . . . 0.0 111.628 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -152.08 140.67 20.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.676 0.79 . . . . 0.0 112.234 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.44 112.69 24.61 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.106 2.162 . . . . 0.0 111.611 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -91.93 154.18 19.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.232 0.613 . . . . 0.0 111.759 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.9 t -79.18 157.58 27.85 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.796 0.808 . . . . 0.0 111.826 166.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -60.55 -65.13 0.74 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.934 2.094 . . . . 0.0 114.65 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -131.24 58.12 1.73 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.558 1.543 . . . . 0.0 110.808 -169.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -141.02 -156.06 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.555 1.942 . . . . 0.0 111.383 -162.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -139.6 4.11 2.13 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -122.05 159.02 27.92 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.972 1.309 . . . . 0.0 114.228 -172.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.23 133.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 128.282 2.633 . . . . 0.0 109.594 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -138.26 -175.82 4.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.032 1.733 . . . . 0.0 112.616 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -113.94 145.72 34.13 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 125.226 1.41 . . . . 0.0 113.455 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.09 104.85 1.28 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.208 3.272 . . . . 0.0 112.324 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 125.992 1.717 . . . . 0.0 111.074 176.177 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.431 0 N-CA-C 114.517 0.567 . . . . 0.0 114.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.05 161.32 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 126.76 2.024 . . . . 0.0 112.438 174.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.24 146.15 54.95 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.538 1.161 . . . . 0.0 111.697 171.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.01 -42.44 84.95 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.757 0.823 . . . . 0.0 111.773 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -76.12 -43.81 41.43 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.711 0.804 . . . . 0.0 111.762 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.17 121.56 27.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.229 1.412 . . . . 0.0 112.211 -175.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -78.62 60.95 2.83 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.43 -1.419 . . . . 0.0 114.134 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 m -139.23 151.44 46.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.748 2.019 . . . . 0.0 111.15 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -86.67 18.82 3.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.5 1.92 . . . . 0.0 114.31 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.54 -2.6 6.83 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.447 1.899 . . . . 0.0 115.951 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.8 154.4 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.865 1.666 . . . . 0.0 114.357 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.59 155.85 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.763 1.625 . . . . 0.0 112.55 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.17 107.59 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.842 1.257 . . . . 0.0 109.518 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.46 -10.83 47.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.128 0.971 . . . . 0.0 112.692 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -160.71 131.92 5.61 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.507 1.923 . . . . 0.0 107.616 -171.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.76 16.04 76.24 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 123.4 0.524 . . . . 0.0 114.084 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.51 -42.38 87.42 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 111.973 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.35 161.54 37.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.382 1.873 . . . . 0.0 111.441 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.6 ptm -78.93 153.3 30.54 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.904 0.881 . . . . 0.0 112.516 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -149.11 153.82 38.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.205 1.802 . . . . 0.0 111.926 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.84 148.84 45.88 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.022 161.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -115.12 -58.93 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.45 1.1 . . . . 0.0 112.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.0 t -160.66 175.66 12.41 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.042 1.337 . . . . 0.0 111.376 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 mt -121.51 167.3 13.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.89 135.55 49.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.41 1.884 . . . . 0.0 108.736 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.2 mtt -123.24 138.48 54.62 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.996 1.718 . . . . 0.0 109.667 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mt . . . . . 0 CA--C 1.546 0.813 0 C-N-CA 123.55 0.74 . . . . 0.0 112.428 179.628 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.2 -33.9 63.44 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.402 1.881 . . . . 0.0 113.439 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.58 -12.31 10.96 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.981 1.312 . . . . 0.0 113.961 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.4 t -55.68 -48.33 75.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.909 0.884 . . . . 0.0 110.935 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -43.4 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.865 0.866 . . . . 0.0 113.122 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.35 -58.13 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.662 1.985 . . . . 0.0 110.829 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -56.83 -41.44 77.84 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.858 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -60.75 -49.78 76.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.513 1.125 . . . . 0.0 112.128 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.16 -49.57 73.62 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.184 0.994 . . . . 0.0 111.479 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.74 -47.03 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.409 1.083 . . . . 0.0 111.136 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.44 80.0 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.705 1.202 . . . . 0.0 112.617 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.3 mt -58.13 -50.88 71.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.718 1.207 . . . . 0.0 111.567 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.8 m -55.02 -47.5 74.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.66 0.784 . . . . 0.0 112.401 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -57.48 -52.62 64.65 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.093 0.957 . . . . 0.0 111.923 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.31 -47.34 85.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.31 1.044 . . . . 0.0 112.842 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -62.1 -42.0 98.77 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.497 -0.752 . . . . 0.0 111.88 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.62 82.74 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.644 -0.66 . . . . 0.0 112.692 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -32.59 74.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.854 1.206 . . . . 0.0 112.811 174.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -74.68 -38.14 62.49 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.973 0.909 . . . . 0.0 111.334 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -80.82 -1.61 43.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.45 1.5 . . . . 0.0 113.123 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 56.91 24.79 9.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.22 2.208 . . . . 0.0 113.179 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.54 -37.89 49.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.126 1.77 . . . . 0.0 112.423 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.7 m80 52.7 13.61 0.35 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.485 2.314 . . . . 0.0 116.092 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.46 166.3 27.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.807 2.843 . . . . 0.0 109.888 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.0 mm -126.41 141.69 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.351 1.86 . . . . 0.0 108.126 166.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -82.29 -67.08 0.81 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.547 1.139 . . . . 0.0 108.479 168.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -140.39 165.35 27.67 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.375 1.47 . . . . 0.0 113.132 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.33 141.27 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 127.464 2.306 . . . . 0.0 109.75 165.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.93 126.04 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.97 1.708 . . . . 0.0 108.961 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.91 123.97 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.313 1.045 . . . . 0.0 111.958 -167.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.29 118.27 5.04 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.387 1.47 . . . . 0.0 112.175 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -115.93 125.65 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.198 1.399 . . . . 0.0 108.655 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.25 143.57 46.3 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.193 0.425 . . . . 0.0 112.784 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.27 -14.39 60.61 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.454 -1.027 . . . . 0.0 112.815 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -116.45 7.02 13.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.858 2.063 . . . . 0.0 114.052 174.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -69.7 -18.1 63.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 112.71 171.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.89 0.77 0.08 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 129.241 3.017 . . . . 0.0 117.682 171.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 ptp -68.19 154.12 42.36 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.625 1.17 . . . . 0.0 112.326 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -81.16 95.73 6.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.177 0.991 . . . . 0.0 110.877 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -50.62 -38.66 47.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.593 1.557 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 t -62.77 -49.67 74.07 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.971 1.708 . . . . 0.0 112.064 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.71 -47.32 86.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.844 0.858 . . . . 0.0 111.453 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.39 -57.14 11.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.639 1.176 . . . . 0.0 112.724 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.81 -42.7 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -63.09 -33.13 74.78 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.054 0.454 . . . . 0.0 111.754 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.6 71.11 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.385 1.074 . . . . 0.0 110.96 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.59 -53.31 39.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.41 -8.94 57.97 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -82.75 -60.5 2.15 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.546 1.538 . . . . 0.0 111.015 163.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.16 2.06 19.33 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -171.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -28.0 4.76 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.071 1.749 . . . . 0.0 114.117 172.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.16 -18.16 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.147 1.379 . . . . 0.0 114.571 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.99 -25.56 66.37 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.787 172.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -143.97 116.03 8.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.629 1.571 . . . . 0.0 111.754 -171.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.22 -28.34 66.59 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.852 -1.155 . . . . 0.0 113.985 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.02 -25.81 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.114 0.965 . . . . 0.0 112.706 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.4 t -81.67 -26.0 35.09 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.817 2.047 . . . . 0.0 112.979 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -65.34 -10.51 33.56 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.19 -1.94 9.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.081 1.752 . . . . 0.0 113.676 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.68 158.13 31.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.07 1.348 . . . . 0.0 112.972 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.8 mt -131.89 145.07 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.913 1.285 . . . . 0.0 110.044 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tp -116.24 116.94 28.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.822 1.649 . . . . 0.0 111.345 -172.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.38 105.27 15.49 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.572 1.949 . . . . 0.0 112.764 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.17 139.08 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.381 -0.824 . . . . 0.0 111.191 172.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.65 122.67 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 128.246 2.618 . . . . 0.0 109.003 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.65 106.56 6.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.603 1.161 . . . . 0.0 111.064 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -88.58 144.57 26.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.264 1.025 . . . . 0.0 112.521 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 169.13 17.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.649 1.58 . . . . 0.0 112.772 168.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.16 154.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.239 1.815 . . . . 0.0 110.459 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -142.27 134.81 28.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.438 1.095 . . . . 0.0 111.825 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.34 101.72 10.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 128.195 2.598 . . . . 0.0 111.145 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.9 149.33 28.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.404 1.882 . . . . 0.0 112.059 169.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 2.9 t -92.72 151.3 20.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.713 1.205 . . . . 0.0 113.1 174.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -62.25 -72.76 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.199 2.2 . . . . 0.0 114.018 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -113.69 55.44 0.72 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.156 1.783 . . . . 0.0 111.439 -171.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.431 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -138.31 -155.13 0.57 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.651 2.38 . . . . 0.0 110.656 -168.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 26.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.755 1.222 . . . . 0.0 112.797 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.423 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 82.2 t60 -146.77 154.43 41.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.268 1.027 . . . . 0.0 113.471 -166.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.07 148.14 25.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 126.608 1.963 . . . . 0.0 110.763 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -142.72 -174.89 4.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.63 1.572 . . . . 0.0 112.248 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -110.95 142.9 27.19 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.345 1.458 . . . . 0.0 111.445 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.08 123.54 10.44 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.007 2.472 . . . . 0.0 112.679 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.8 m120 . . . . . 0 CA--C 1.543 0.678 0 C-N-CA 125.536 1.534 . . . . 0.0 111.023 174.813 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.281 0 N-CA-C 114.315 0.486 . . . . 0.0 114.315 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.6 m -62.78 165.69 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.407 1.483 . . . . 0.0 112.037 168.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.7 t -61.17 166.26 3.82 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.49 1.516 . . . . 0.0 112.692 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' A' ' 81' ' ' HIS . 10.8 pt-20 -89.19 -31.41 17.95 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -93.72 -62.78 1.29 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.954 1.302 . . . . 0.0 111.477 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.3 p -79.37 174.27 11.74 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.871 0.869 . . . . 0.0 110.737 162.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -124.35 46.65 2.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.743 -1.223 . . . . 0.0 113.043 -171.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.2 m -136.9 155.65 49.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.833 1.253 . . . . 0.0 111.618 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -87.7 14.94 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.395 1.878 . . . . 0.0 114.121 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -66.92 -1.49 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.462 1.905 . . . . 0.0 115.81 -172.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -58.52 152.46 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.938 1.295 . . . . 0.0 113.311 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 154.15 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.251 1.821 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mp -75.88 109.31 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.464 1.106 . . . . 0.0 108.629 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.1 t -91.34 -12.46 34.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.576 0.75 . . . . 0.0 112.022 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -160.01 131.72 6.1 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.619 1.968 . . . . 0.0 108.493 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.39 -11.16 39.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.791 1.186 . . . . 0.0 115.341 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -66.82 -33.82 76.46 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.568 1.547 . . . . 0.0 112.352 175.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -138.09 158.09 45.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.369 2.268 . . . . 0.0 110.8 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -78.9 168.62 19.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.377 1.071 . . . . 0.0 113.275 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -154.84 159.43 40.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.374 1.869 . . . . 0.0 112.868 171.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.42 152.72 41.82 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.214 -0.928 . . . . 0.0 110.179 163.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.9 mt -115.55 -55.72 2.41 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.048 1.339 . . . . 0.0 111.699 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 t -159.18 169.83 23.28 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.227 1.011 . . . . 0.0 112.259 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 167.34 14.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.428 1.491 . . . . 0.0 110.823 170.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -132.58 139.69 47.92 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.936 1.694 . . . . 0.0 110.311 170.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.4 mtt -134.96 123.0 22.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.847 2.059 . . . . 0.0 109.542 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.8 mt . . . . . 0 CA--C 1.54 0.57 0 C-N-CA 124.89 1.276 . . . . 0.0 112.648 -175.449 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 114.536 1.309 . . . . 0.0 114.536 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.59 -24.7 61.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.286 1.434 . . . . 0.0 114.332 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.81 -6.54 48.65 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -61.95 -53.84 50.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.851 0.861 . . . . 0.0 111.15 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.83 -41.92 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.291 1.036 . . . . 0.0 112.547 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.28 -61.5 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.472 1.909 . . . . 0.0 111.516 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.7 t -53.77 -42.23 68.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.612 1.165 . . . . 0.0 111.842 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -58.95 -53.96 52.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.374 1.07 . . . . 0.0 112.258 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.64 -53.62 52.3 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.924 0.889 . . . . 0.0 111.588 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.5 mt -55.83 -48.92 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.082 1.353 . . . . 0.0 110.938 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.11 -48.22 82.66 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.02 -53.72 54.48 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.231 1.012 . . . . 0.0 112.128 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -68.08 -32.59 73.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -177.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -58.75 -46.3 87.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.295 0.952 . . . . 0.0 111.346 167.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.58 -44.3 94.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.435 0.694 . . . . 0.0 111.816 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -61.71 -41.82 98.12 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.394 -0.816 . . . . 0.0 112.12 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.83 -48.74 75.57 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.586 -0.696 . . . . 0.0 112.319 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -63.82 -32.24 73.69 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.279 0.945 . . . . 0.0 112.977 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -71.59 -39.92 70.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.566 1.146 . . . . 0.0 111.179 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -82.88 -0.47 48.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.779 1.231 . . . . 0.0 113.245 172.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 57.57 27.57 14.33 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.895 2.078 . . . . 0.0 112.829 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.86 64.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.723 1.209 . . . . 0.0 113.308 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 56.23 2.25 0.08 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.025 2.53 . . . . 0.0 116.509 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -157.65 176.54 12.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.762 2.425 . . . . 0.0 111.294 165.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.33 141.46 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.098 1.759 . . . . 0.0 109.215 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.83 -49.7 7.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 110.353 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -152.1 158.29 42.77 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.059 1.344 . . . . 0.0 114.205 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -124.96 134.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 128.42 2.688 . . . . 0.0 109.216 157.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.38 123.02 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.011 1.724 . . . . 0.0 108.069 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.03 152.92 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.33 1.452 . . . . 0.0 110.573 -171.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -118.68 134.66 11.01 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.636 1.113 . . . . 0.0 111.585 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.0 mt -132.49 123.82 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.704 1.602 . . . . 0.0 108.728 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.18 146.0 50.04 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.213 0.435 . . . . 0.0 112.938 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.21 -11.25 58.97 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.225 -1.162 . . . . 0.0 112.906 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -112.75 3.12 16.32 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.424 1.89 . . . . 0.0 114.37 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 m -69.76 -18.37 63.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.941 0.896 . . . . 0.0 113.22 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.85 16.7 2.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 127.39 2.276 . . . . 0.0 116.097 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.5 mtt -71.27 135.06 47.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.161 1.384 . . . . 0.0 111.089 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -76.96 95.49 4.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.645 0.778 . . . . 0.0 109.949 171.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -56.0 -35.49 66.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -48.65 80.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.445 1.498 . . . . 0.0 111.734 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.85 -49.04 79.09 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.31 1.044 . . . . 0.0 111.705 175.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -58.67 -53.17 61.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.612 0.765 . . . . 0.0 112.955 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.06 -40.14 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.91 1.232 . . . . 0.0 113.1 174.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -63.57 -30.44 71.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.391 0.542 . . . . 0.0 111.852 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.73 70.15 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.932 173.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -55.83 -49.81 72.26 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.528 -0.732 . . . . 0.0 112.369 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.8 -23.59 67.32 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.333 1.453 . . . . 0.0 113.644 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.2 m -74.67 -60.54 2.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.871 1.268 . . . . 0.0 111.088 169.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.22 -8.53 56.86 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -48.6 -30.05 4.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.565 1.546 . . . . 0.0 114.056 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.6 -27.89 59.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.53 2.332 . . . . 0.0 114.21 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.18 -14.67 56.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.361 1.464 . . . . 0.0 113.638 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 m -135.38 169.07 18.05 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.236 1.814 . . . . 0.0 110.917 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -82.82 -48.26 10.98 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.826 -1.171 . . . . 0.0 111.438 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m -66.79 -25.37 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.632 1.573 . . . . 0.0 113.745 -169.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.67 -26.0 59.55 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.897 1.279 . . . . 0.0 113.263 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.08 -21.94 64.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -165.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.77 7.73 10.5 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.4 1.88 . . . . 0.0 113.857 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.08 164.86 21.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.577 1.151 . . . . 0.0 112.715 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.8 mm -125.86 139.59 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.955 1.702 . . . . 0.0 109.673 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.84 108.27 16.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.125 1.37 . . . . 0.0 111.003 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.37 115.15 29.97 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.835 1.654 . . . . 0.0 112.59 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.5 mt -104.68 101.24 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.982 1.713 . . . . 0.0 111.487 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -74.67 122.46 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 111.432 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.28 103.44 2.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.06 1.344 . . . . 0.0 110.818 168.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -99.51 144.95 28.01 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.972 1.709 . . . . 0.0 111.943 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -74.7 169.86 16.99 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.955 -1.091 . . . . 0.0 113.155 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 m -123.06 158.27 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.095 1.358 . . . . 0.0 112.935 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -154.58 143.51 20.96 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.4 1.08 . . . . 0.0 111.3 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.32 103.5 10.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.776 2.03 . . . . 0.0 110.506 -174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -81.39 152.37 27.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.94 0.896 . . . . 0.0 112.788 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.427 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.1 t -78.67 155.04 29.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.655 0.782 . . . . 0.0 111.443 165.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -62.9 -63.0 1.34 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.362 1.865 . . . . 0.0 114.424 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.66 58.13 1.58 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.706 1.602 . . . . 0.0 111.172 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.17 -155.59 0.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.771 2.028 . . . . 0.0 111.337 -163.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -146.78 25.7 1.16 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.79 1.236 . . . . 0.0 112.946 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -140.46 149.66 42.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.851 1.261 . . . . 0.0 112.707 -172.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.34 152.29 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 126.57 1.948 . . . . 0.0 110.544 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.97 -178.59 6.01 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.828 1.251 . . . . 0.0 112.969 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -99.55 141.4 22.75 Favored Pre-proline 0 N--CA 1.48 1.056 0 C-N-CA 125.311 1.444 . . . . 0.0 112.195 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.98 120.88 7.37 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.978 2.452 . . . . 0.0 111.729 -174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 124.863 1.265 . . . . 0.0 112.01 -179.536 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.414 0 N-CA-C 114.715 0.646 . . . . 0.0 114.715 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 m -64.79 156.38 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.89 1.676 . . . . 0.0 112.679 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.4 t -69.24 148.82 49.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.318 1.447 . . . . 0.0 111.892 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -69.8 -33.4 72.3 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.526 -0.734 . . . . 0.0 112.513 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -81.97 -56.62 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.691 1.196 . . . . 0.0 112.372 173.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -112.91 128.49 56.48 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.381 1.472 . . . . 0.0 111.435 -173.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -80.14 56.29 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.434 -1.416 . . . . 0.0 113.578 -168.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.8 m -136.25 149.43 48.51 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.087 2.155 . . . . 0.0 109.914 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -105.91 26.0 10.2 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.584 1.553 . . . . 0.0 113.291 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.83 1.1 2.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.684 2.794 . . . . 0.0 115.726 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.71 149.67 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 114.004 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.95 154.2 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.738 1.615 . . . . 0.0 112.14 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.9 mt -78.27 108.11 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.207 1.003 . . . . 0.0 108.937 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -86.85 -9.53 55.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.591 1.157 . . . . 0.0 112.677 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -157.66 126.5 5.72 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.035 2.134 . . . . 0.0 107.83 -169.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.14 18.08 78.87 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.72 -38.32 81.33 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.368 1.467 . . . . 0.0 111.788 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.4 166.77 27.11 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.716 1.606 . . . . 0.0 112.365 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.63 150.74 45.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.185 1.394 . . . . 0.0 112.583 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -154.9 154.88 33.34 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.697 1.599 . . . . 0.0 112.01 172.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.8 pp -63.9 152.42 39.85 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 122.111 -0.368 . . . . 0.0 111.133 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.8 mt -113.99 -57.8 2.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.718 1.207 . . . . 0.0 110.478 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.9 m -151.72 164.2 37.49 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.926 1.69 . . . . 0.0 111.46 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.4 mt -115.99 170.3 8.59 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.978 0.911 . . . . 0.0 110.628 161.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -140.54 122.21 15.28 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.35 1.86 . . . . 0.0 108.316 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 18.8 ptp -135.13 111.59 9.83 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.155 -0.966 . . . . 0.0 110.998 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 124.985 1.314 . . . . 0.0 112.319 -175.653 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.2 t60 . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.371 0.129 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.47 -33.51 74.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -85.54 -3.67 58.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.58 1.152 . . . . 0.0 114.052 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.0 m -62.36 -33.74 75.33 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 t -68.19 -52.23 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.151 0.887 . . . . 0.0 110.173 167.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.59 -62.61 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.805 1.642 . . . . 0.0 111.149 -167.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m -59.37 -35.0 73.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.069 1.348 . . . . 0.0 112.86 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 t -63.28 -43.28 98.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.229 0.612 . . . . 0.0 111.536 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.24 -41.58 97.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.759 0.824 . . . . 0.0 112.906 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.91 -50.84 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 118.52 0.6 . . . . 0.0 110.527 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.84 89.42 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.017 0.927 . . . . 0.0 112.738 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.74 -49.96 75.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.458 1.503 . . . . 0.0 111.376 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.65 -40.09 95.97 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -58.0 -45.94 86.02 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.292 -0.88 . . . . 0.0 111.457 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.11 -47.92 82.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.267 1.427 . . . . 0.0 111.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.43 ' CE1' HD22 ' A' ' 114' ' ' LEU . 0.7 OUTLIER -64.06 -33.35 75.56 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.906 -1.121 . . . . 0.0 112.827 177.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.75 64.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -176.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -79.72 -31.6 41.15 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.384 0.993 . . . . 0.0 113.054 167.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -73.72 -44.36 56.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.35 1.06 . . . . 0.0 111.323 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -84.18 -5.18 59.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.692 1.597 . . . . 0.0 113.091 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 55.22 30.71 15.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 112.685 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.1 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.956 1.702 . . . . 0.0 112.613 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.2 m170 53.57 3.52 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 128.482 2.713 . . . . 0.0 117.295 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -144.87 166.21 25.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.289 2.636 . . . . 0.0 110.119 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 mm -115.28 156.85 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.689 1.595 . . . . 0.0 110.518 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -114.76 -49.41 2.81 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.354 1.461 . . . . 0.0 110.813 164.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -149.61 162.89 39.31 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.28 147.09 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.648 1.579 . . . . 0.0 109.874 155.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -126.38 108.39 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.191 1.797 . . . . 0.0 108.714 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.2 p -97.97 141.57 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.148 0.979 . . . . 0.0 111.729 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.6 120.41 6.71 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.558 2.028 . . . . 0.0 111.053 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -126.46 127.1 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.17 144.23 48.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.46 0.552 . . . . 0.0 112.384 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -78.47 -3.34 42.98 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.105 -1.233 . . . . 0.0 112.849 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -113.21 -5.72 13.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.267 2.627 . . . . 0.0 113.554 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -72.25 -14.47 61.78 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.31 -1.54 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.208 2.603 . . . . 0.0 117.19 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.84 112.76 5.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.536 1.534 . . . . 0.0 110.462 171.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -62.21 108.52 1.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.546 1.138 . . . . 0.0 112.717 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -53.03 -36.02 60.09 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.496 1.518 . . . . 0.0 114.14 173.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -66.01 -42.76 89.28 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.519 1.127 . . . . 0.0 111.306 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.22 -53.02 62.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.094 0.958 . . . . 0.0 110.352 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -54.54 -54.97 34.07 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.95 -42.48 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.587 -0.696 . . . . 0.0 112.682 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -61.15 -34.11 74.49 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.64 75.26 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.72 0.808 . . . . 0.0 111.818 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -58.4 -44.98 89.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.219 1.007 . . . . 0.0 112.356 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.47 -25.07 68.09 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.272 1.429 . . . . 0.0 113.615 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.5 m -74.61 -59.58 2.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.839 0.856 . . . . 0.0 111.129 164.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -14.1 62.41 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -168.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -53.15 -23.9 9.31 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.658 1.583 . . . . 0.0 114.956 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.23 -23.66 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.914 1.685 . . . . 0.0 113.738 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.1 -25.6 66.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.013 0.925 . . . . 0.0 112.917 172.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -85.24 177.46 7.84 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.659 1.584 . . . . 0.0 112.623 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.37 -42.37 6.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.497 1.119 . . . . 0.0 111.384 154.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -77.79 -33.32 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.112 1.365 . . . . 0.0 112.191 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -76.87 -15.53 59.67 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.566 0.746 . . . . 0.0 112.526 -169.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.28 88.56 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.772 0.715 . . . . 0.0 112.564 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -95.64 73.99 3.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.009 1.324 . . . . 0.0 110.298 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.98 165.74 26.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.801 1.64 . . . . 0.0 112.098 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mm -135.74 142.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.301 1.841 . . . . 0.0 108.684 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tp -115.58 107.9 15.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.477 1.911 . . . . 0.0 109.646 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -91.67 144.88 25.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.915 1.286 . . . . 0.0 111.884 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.9 mm -104.78 142.45 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.275 1.43 . . . . 0.0 110.758 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.97 120.87 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.791 2.036 . . . . 0.0 109.592 171.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.33 100.0 3.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.762 1.225 . . . . 0.0 110.67 172.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.99 142.27 49.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.677 0.791 . . . . 0.0 111.597 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -63.45 156.96 24.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.296 0.638 . . . . 0.0 110.727 166.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.39 154.96 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.86 143.78 26.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.507 1.123 . . . . 0.0 110.132 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.66 111.37 17.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.189 1.796 . . . . 0.0 111.645 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.3 155.03 28.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.042 0.937 . . . . 0.0 112.795 166.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.1 t -80.49 158.6 25.81 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.877 0.871 . . . . 0.0 111.657 165.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -64.13 -65.32 0.69 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.659 1.983 . . . . 0.0 114.103 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -127.11 59.58 1.41 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.743 1.617 . . . . 0.0 111.019 -168.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.86 -157.91 0.83 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.046 2.139 . . . . 0.0 111.313 -164.183 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t -147.48 33.35 0.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.613 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -145.85 150.42 36.12 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.443 1.097 . . . . 0.0 113.066 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.62 150.42 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 126.469 1.908 . . . . 0.0 110.967 172.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.32 175.05 11.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.328 1.451 . . . . 0.0 112.482 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 143.54 26.8 Favored Pre-proline 0 N--CA 1.48 1.029 0 C-N-CA 124.537 1.135 . . . . 0.0 112.748 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.88 118.61 5.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.921 3.081 . . . . 0.0 112.223 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 . . . . . 0 CA--C 1.546 0.826 0 C-N-CA 125.192 1.397 . . . . 0.0 112.411 178.406 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.639 0 N-CA-C 115.512 0.965 . . . . 0.0 115.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.79 158.42 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.512 1.156 . . . . 0.0 112.519 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.75 147.61 53.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.33 1.052 . . . . 0.0 111.559 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.02 -43.7 86.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.778 0.831 . . . . 0.0 111.913 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -73.56 -56.17 5.37 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 p -114.36 124.12 51.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 111.82 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -79.21 60.1 2.96 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.366 -1.459 . . . . 0.0 113.588 -168.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.7 m -136.86 153.82 50.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.109 2.164 . . . . 0.0 110.773 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -97.45 14.06 27.66 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.711 1.604 . . . . 0.0 113.68 -172.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.18 -2.52 5.87 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.675 2.39 . . . . 0.0 116.353 -172.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.51 151.32 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.896 1.678 . . . . 0.0 113.92 -174.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.21 153.54 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.584 1.554 . . . . 0.0 112.453 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.73 115.85 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.143 1.377 . . . . 0.0 108.522 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -97.39 -8.11 30.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.968 1.307 . . . . 0.0 112.663 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.14 127.11 6.27 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.38 1.872 . . . . 0.0 108.891 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.77 18.21 77.59 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.433 1.016 . . . . 0.0 114.571 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.574 1.55 . . . . 0.0 112.783 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.96 156.83 45.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.317 1.847 . . . . 0.0 111.263 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.0 ptm -79.84 150.05 30.8 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.494 0.718 . . . . 0.0 112.352 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 mtp-105 -150.43 165.74 32.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.575 1.95 . . . . 0.0 110.487 171.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.62 158.64 9.69 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.295 -0.878 . . . . 0.0 112.729 162.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.91 -53.66 2.27 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.865 1.666 . . . . 0.0 111.265 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.4 p -149.47 162.44 40.13 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.991 1.316 . . . . 0.0 111.949 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -140.18 157.16 46.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.945 1.298 . . . . 0.0 110.116 175.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -139.72 144.75 37.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 111.62 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -125.86 168.22 14.15 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.091 1.756 . . . . 0.0 111.177 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 pp . . . . . 0 CA--C 1.541 0.604 0 C-N-CA 124.968 1.307 . . . . 0.0 113.008 179.512 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 CA--C 1.537 0.45 0 N-CA-C 110.558 -0.164 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.52 -27.89 67.97 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -75.98 -2.99 33.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -58.94 -61.18 2.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -55.49 -42.39 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.161 0.985 . . . . 0.0 112.434 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.9 t -57.51 -66.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 127.999 2.519 . . . . 0.0 111.746 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.6 t -52.39 -44.74 65.5 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.832 1.253 . . . . 0.0 112.162 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 m -59.77 -48.35 82.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.455 0.702 . . . . 0.0 112.812 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.86 -51.77 68.6 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.023 0.829 . . . . 0.0 112.738 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.56 -45.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.78 0.832 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.6 56.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.797 . . . . 0.0 112.419 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.87 -52.36 64.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.113 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.34 -35.52 80.57 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -58.0 -48.36 80.27 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.338 0.972 . . . . 0.0 111.38 168.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -65.47 -41.98 92.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.054 0.942 . . . . 0.0 112.296 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.28 -42.93 99.15 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.393 -0.817 . . . . 0.0 111.677 173.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.76 75.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.637 0.653 . . . . 0.0 112.177 -176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -63.56 -34.23 77.35 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.01 -40.93 62.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.606 1.162 . . . . 0.0 111.318 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.54 -5.14 51.89 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.756 1.622 . . . . 0.0 113.152 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.2 31.36 18.22 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.801 2.041 . . . . 0.0 112.256 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -42.93 67.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.021 1.329 . . . . 0.0 112.307 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 48.42 26.82 1.23 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.473 1.909 . . . . 0.0 114.503 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -160.66 159.46 30.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 127.016 2.127 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.9 mt -134.99 142.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.377 1.871 . . . . 0.0 108.392 168.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -94.26 -65.32 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.073 1.349 . . . . 0.0 109.225 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -139.71 162.69 34.51 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.961 1.304 . . . . 0.0 113.432 172.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.42 127.68 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.931 1.693 . . . . 0.0 110.028 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 t -99.49 121.74 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.384 1.473 . . . . 0.0 110.393 -167.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 t -132.01 123.52 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.355 1.062 . . . . 0.0 111.329 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.34 120.56 5.91 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 126.229 1.871 . . . . 0.0 112.463 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mt -116.4 125.47 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.978 1.711 . . . . 0.0 108.526 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.39 141.22 46.87 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.704 0.668 . . . . 0.0 112.928 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.42 -15.6 63.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.323 -1.104 . . . . 0.0 113.269 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -106.28 2.28 26.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 114.13 173.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.0 t -63.46 -37.91 89.12 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.51 1.124 . . . . 0.0 112.45 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.06 10.36 0.59 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.341 2.257 . . . . 0.0 115.732 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.93 144.26 57.4 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.176 -0.952 . . . . 0.0 111.59 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.08 93.09 2.23 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.902 1.281 . . . . 0.0 111.528 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -53.11 -28.53 25.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.37 1.868 . . . . 0.0 114.616 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -57.8 -39.55 77.79 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.308 1.843 . . . . 0.0 112.854 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.67 -46.88 71.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.724 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CE2' HD21 ' A' ' 65' ' ' LEU . 21.3 t80 -58.39 -52.83 63.98 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.271 0.357 . . . . 0.0 111.495 -172.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -44.09 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -63.89 -34.15 77.31 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.773 0.32 . . . . 0.0 111.45 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.97 62.01 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.177 -0.952 . . . . 0.0 111.721 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.25 -54.98 24.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.742 1.217 . . . . 0.0 111.18 171.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -27.3 60.99 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.9 m -56.07 -41.82 75.71 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.075 1.307 . . . . 0.0 112.168 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.24 17.06 4.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.162 . . . . 0.0 113.763 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -31.96 16.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.866 1.212 . . . . 0.0 113.391 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.85 -18.69 60.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.107 1.763 . . . . 0.0 114.218 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.26 -21.02 63.02 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.715 1.206 . . . . 0.0 113.655 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -146.0 128.77 16.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.954 1.301 . . . . 0.0 111.877 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.47 -32.29 68.62 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.15 -22.7 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.5 t -74.7 -24.16 58.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.004 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -60.14 -14.71 18.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.345 1.458 . . . . 0.0 114.772 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -111.48 -7.27 14.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.168 1.387 . . . . 0.0 113.959 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.03 148.29 46.0 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.024 0.93 . . . . 0.0 112.633 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.4 mt -130.84 150.09 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.16 1.784 . . . . 0.0 108.882 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.499 HD21 ' CE2' ' A' ' 46' ' ' PHE . 14.0 tp -85.83 139.76 31.0 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.219 -0.926 . . . . 0.0 111.539 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -116.83 88.77 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.258 1.423 . . . . 0.0 110.361 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.9 mt -71.81 117.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.767 1.627 . . . . 0.0 110.076 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.1 t -106.62 124.61 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.976 1.71 . . . . 0.0 110.084 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -71.69 93.46 1.27 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.389 1.476 . . . . 0.0 111.302 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -75.19 138.84 42.24 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.891 1.276 . . . . 0.0 111.788 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.75 161.92 19.76 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.673 -0.642 . . . . 0.0 111.051 168.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.07 152.77 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.929 1.291 . . . . 0.0 111.822 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -151.59 144.46 24.44 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.32 97.02 5.22 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.1 2.16 . . . . 0.0 111.583 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 82' ' ' VAL . 10.7 mt-10 -68.87 154.11 42.6 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.352 1.461 . . . . 0.0 112.021 165.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 6.1 t -79.92 163.09 24.59 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.685 0.755 . . . . 0.0 111.573 161.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.99 -69.38 0.31 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.218 1.807 . . . . 0.0 114.355 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.63 58.88 1.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.696 1.598 . . . . 0.0 110.977 -167.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.8 OUTLIER -140.88 -155.4 0.58 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.483 1.913 . . . . 0.0 111.85 -160.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -152.49 61.65 0.81 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.525 1.13 . . . . 0.0 110.387 163.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -152.93 154.51 35.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.297 1.039 . . . . 0.0 113.134 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 1.2 p -152.69 140.27 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 127.302 2.241 . . . . 0.0 110.705 171.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -173.25 3.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.17 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -93.59 153.06 41.29 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.399 1.08 . . . . 0.0 111.325 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.46 -175.64 2.79 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.31 2.673 . . . . 0.0 112.334 174.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 N--CA 1.469 0.512 0 C-N-CA 127.451 2.3 . . . . 0.0 113.181 -177.242 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.48 0 CA-C-O 120.72 0.067 . . . . 0.0 113.05 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.7 m -75.12 162.87 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.656 1.582 . . . . 0.0 112.505 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.52 135.14 57.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.2 1.0 . . . . 0.0 109.564 165.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.18 -25.03 65.05 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.347 -0.846 . . . . 0.0 113.082 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -85.66 -56.97 3.24 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.626 1.17 . . . . 0.0 112.274 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.9 p -113.08 114.16 26.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.318 1.447 . . . . 0.0 111.419 -176.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -76.56 68.41 2.85 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -162.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.0 m -140.61 155.2 46.62 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.599 2.359 . . . . 0.0 110.196 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -92.3 19.87 6.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.19 1.396 . . . . 0.0 113.515 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.08 -3.1 11.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.796 2.038 . . . . 0.0 115.708 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -52.35 144.92 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.288 1.435 . . . . 0.0 113.267 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.69 149.79 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.498 1.519 . . . . 0.0 112.713 -178.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.81 103.13 5.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.164 1.385 . . . . 0.0 108.071 -173.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.3 t -88.76 -9.14 52.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.585 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -151.98 117.62 5.39 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.678 1.991 . . . . 0.0 108.163 -168.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.84 78.1 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 115.95 1.14 . . . . 0.0 115.95 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.91 -34.64 76.43 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.932 1.366 . . . . 0.0 112.379 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -134.76 157.37 46.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.664 1.986 . . . . 0.0 109.937 169.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.4 ptm -75.03 151.71 38.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 112.446 171.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -150.32 157.62 43.26 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.685 1.594 . . . . 0.0 111.828 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.85 156.86 8.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.799 165.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.28 -50.58 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.706 1.603 . . . . 0.0 112.052 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 t -160.3 179.24 8.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.607 1.563 . . . . 0.0 111.337 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.73 165.25 27.77 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.408 1.483 . . . . 0.0 110.7 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.62 122.34 25.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.49 1.516 . . . . 0.0 109.633 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 77.9 mtm -126.2 100.52 6.35 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.875 1.67 . . . . 0.0 110.111 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 CA--C 1.543 0.695 0 C-N-CA 126.146 1.778 . . . . 0.0 112.812 -178.397 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 t60 . . . . . 0 N--CA 1.474 0.735 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.06 -27.72 61.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.259 1.824 . . . . 0.0 113.778 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.92 -14.26 14.6 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.941 1.297 . . . . 0.0 113.702 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -58.09 -51.23 70.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.332 1.053 . . . . 0.0 111.148 170.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -54.57 -47.49 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.032 0.933 . . . . 0.0 112.153 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.84 -62.34 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 127.026 2.131 . . . . 0.0 111.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -57.96 -39.0 77.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.967 1.307 . . . . 0.0 112.236 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 t -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.795 0.838 . . . . 0.0 111.6 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.76 -46.75 88.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.945 0.898 . . . . 0.0 112.768 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.91 -50.49 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.026 1.33 . . . . 0.0 111.544 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.14 83.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.145 0.978 . . . . 0.0 112.933 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -59.81 -50.44 73.78 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.966 1.306 . . . . 0.0 111.964 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 t -63.46 -40.08 96.17 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.544 0.611 . . . . 0.0 112.472 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -55.35 -52.56 63.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.992 0.917 . . . . 0.0 112.491 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.88 -45.53 89.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.761 0.824 . . . . 0.0 112.803 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -61.14 -43.2 99.25 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.386 -0.821 . . . . 0.0 111.766 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.29 73.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.726 -0.609 . . . . 0.0 112.37 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -64.29 -31.94 73.34 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.228 0.922 . . . . 0.0 113.125 175.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -72.95 -37.85 66.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.293 1.037 . . . . 0.0 111.173 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.08 -1.47 44.36 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.84 1.656 . . . . 0.0 113.134 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 57.04 25.19 10.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.341 2.256 . . . . 0.0 113.232 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.08 48.98 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.709 1.604 . . . . 0.0 112.778 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.2 m80 54.93 6.39 0.13 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 127.887 2.475 . . . . 0.0 117.139 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -145.8 166.24 26.5 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 128.271 2.628 . . . . 0.0 110.068 162.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.7 mt -107.48 155.89 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.961 1.704 . . . . 0.0 108.346 170.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -95.36 -60.43 1.67 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.862 -1.149 . . . . 0.0 109.403 159.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -152.34 162.31 41.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 112.846 174.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.16 153.05 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 126.463 1.905 . . . . 0.0 108.884 163.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.3 t -128.67 123.55 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.897 1.279 . . . . 0.0 109.046 -174.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 p -113.38 149.55 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.678 1.191 . . . . 0.0 111.202 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.69 99.18 0.84 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 126.471 1.986 . . . . 0.0 109.784 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mt -95.64 127.18 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.295 1.038 . . . . 0.0 109.371 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.48 136.62 44.83 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 122.326 0.959 . . . . 0.0 113.232 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -23.65 64.58 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.183 2.193 . . . . 0.0 114.398 174.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -112.19 2.13 16.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.116 1.766 . . . . 0.0 113.738 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.5 m -65.51 -28.52 69.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.238 1.015 . . . . 0.0 113.276 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.87 7.05 0.25 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.713 2.405 . . . . 0.0 116.49 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.9 mtm -71.65 130.12 40.38 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.308 . . . . 0.0 110.678 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -65.26 102.27 0.64 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.698 1.199 . . . . 0.0 111.91 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -55.2 -35.85 65.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.539 1.135 . . . . 0.0 113.529 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -62.25 -44.13 97.25 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.7 1.6 . . . . 0.0 111.613 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -54.12 49.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.154 0.982 . . . . 0.0 110.262 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -55.05 -52.62 62.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.65 0.78 . . . . 0.0 113.103 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.39 -40.68 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.095 -1.003 . . . . 0.0 113.447 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -62.63 -33.68 75.51 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.886 0.312 . . . . 0.0 111.563 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.73 68.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.963 0.905 . . . . 0.0 111.695 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.81 -45.69 70.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.731 0.812 . . . . 0.0 112.501 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.78 -53.24 60.29 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.46 1.104 . . . . 0.0 112.027 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.3 m -50.56 -45.55 57.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.285 1.034 . . . . 0.0 112.16 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -87.63 18.93 3.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.13 -29.41 9.03 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.573 1.078 . . . . 0.0 113.904 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.56 -15.15 57.38 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.131 2.172 . . . . 0.0 114.716 -178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.32 -14.02 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.283 -0.886 . . . . 0.0 113.153 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -130.92 174.73 9.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.935 2.494 . . . . 0.0 109.644 168.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tp -99.91 -34.14 10.24 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.906 -1.121 . . . . 0.0 113.039 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.05 -21.82 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.89 0.876 . . . . 0.0 112.739 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.3 m -75.6 -12.19 60.16 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.502 1.121 . . . . 0.0 112.704 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.51 66.56 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.4 84.23 2.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.043 1.737 . . . . 0.0 109.937 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.48 166.36 30.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 112.686 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.9 mt -131.48 147.85 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 127.316 2.247 . . . . 0.0 108.02 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tp -122.44 102.02 7.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.72 1.208 . . . . 0.0 110.109 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.52 133.57 34.45 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.355 1.862 . . . . 0.0 112.095 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.3 105.03 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.756 1.222 . . . . 0.0 111.026 -172.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.1 t -80.23 122.83 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.037 1.335 . . . . 0.0 109.825 167.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.44 109.16 5.94 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 110.478 163.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.9 174.83 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.88 143.98 48.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.591 1.956 . . . . 0.0 110.617 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.23 156.75 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.356 1.062 . . . . 0.0 113.431 -172.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -158.01 136.02 10.75 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.151 1.38 . . . . 0.0 111.602 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -124.0 109.26 13.32 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.073 1.749 . . . . 0.0 110.8 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.95 150.73 27.54 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.946 0.898 . . . . 0.0 112.673 172.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 4.6 t -78.83 156.69 28.6 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 121.907 0.86 . . . . 0.0 111.416 167.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -62.39 -65.9 0.62 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.777 2.031 . . . . 0.0 114.791 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.52 60.2 1.58 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.462 1.505 . . . . 0.0 111.013 -170.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 3.1 t -136.21 -150.77 0.38 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.614 1.966 . . . . 0.0 111.736 -161.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 t -146.1 17.75 1.39 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.99 1.316 . . . . 0.0 113.123 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -140.09 150.81 44.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.475 1.11 . . . . 0.0 113.659 -166.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.52 149.73 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.955 2.102 . . . . 0.0 110.514 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -145.82 176.91 9.31 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -104.87 121.41 46.82 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 126.141 1.776 . . . . 0.0 111.12 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -62.68 110.96 1.21 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.46 3.44 . . . . 0.0 112.472 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 . . . . . 0 CA--C 1.542 0.635 0 C-N-CA 125.823 1.649 . . . . 0.0 111.379 -179.423 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.647 0 N-CA-C 116.234 1.254 . . . . 0.0 116.234 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 m -62.55 173.69 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.501 1.92 . . . . 0.0 112.327 168.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.82 158.15 6.71 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.819 0.818 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.0 -41.8 63.92 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.416 -0.802 . . . . 0.0 110.831 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -84.55 -60.02 2.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.586 1.154 . . . . 0.0 112.541 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -72.14 179.06 3.48 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.448 1.499 . . . . 0.0 110.65 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -124.12 34.2 5.1 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.904 -1.122 . . . . 0.0 112.801 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m -131.45 156.21 46.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.817 1.247 . . . . 0.0 111.346 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -90.89 30.19 1.24 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.183 1.793 . . . . 0.0 112.182 174.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.23 -7.28 29.09 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.317 1.847 . . . . 0.0 114.628 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.84 154.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.976 1.71 . . . . 0.0 113.619 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.24 153.7 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.727 1.611 . . . . 0.0 111.623 173.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 103' ' ' ILE . 4.6 mp -69.36 119.93 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 125.071 1.348 . . . . 0.0 108.096 177.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -102.81 -11.71 18.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.007 0.923 . . . . 0.0 111.411 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -159.42 132.6 7.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.371 1.868 . . . . 0.0 108.856 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.35 -14.43 39.54 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.374 0.988 . . . . 0.0 114.569 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.82 -47.5 71.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.446 1.898 . . . . 0.0 112.803 171.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -132.85 156.02 47.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.079 1.351 . . . . 0.0 112.494 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.5 ptm -77.52 157.17 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.055 1.342 . . . . 0.0 113.055 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -145.11 159.49 42.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.353 1.861 . . . . 0.0 110.852 167.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.91 150.93 47.83 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.823 -0.548 . . . . 0.0 110.649 160.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.54 -41.44 2.7 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.513 1.525 . . . . 0.0 112.487 -174.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.8 m -162.89 167.57 22.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 110.953 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 mt -132.27 158.77 40.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.243 1.417 . . . . 0.0 109.254 165.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -140.69 145.61 36.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.343 1.057 . . . . 0.0 111.663 172.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.3 mtt -124.87 166.69 15.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.771 2.029 . . . . 0.0 110.992 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 124.684 1.194 . . . . 0.0 112.989 -176.32 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.4 t60 . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.81 -16.82 53.07 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.32 -3.19 14.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.524 1.53 . . . . 0.0 113.664 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -61.06 -57.28 13.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.888 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -56.62 -41.89 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.086 0.955 . . . . 0.0 112.333 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.1 -65.15 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -57.47 -39.03 75.49 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.334 1.054 . . . . 0.0 112.3 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -59.14 -47.47 85.18 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.077 0.951 . . . . 0.0 111.688 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.38 -51.72 65.88 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.008 0.923 . . . . 0.0 112.14 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.4 mm -54.96 -46.91 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.107 0.867 . . . . 0.0 111.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.96 77.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.805 0.842 . . . . 0.0 112.942 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.55 -47.52 85.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.398 1.079 . . . . 0.0 111.962 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -48.84 -57.36 6.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.707 1.603 . . . . 0.0 111.962 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -54.8 -50.81 67.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.361 1.064 . . . . 0.0 111.985 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.74 -44.28 93.85 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.238 1.015 . . . . 0.0 112.827 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.55 -43.77 96.86 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.238 -0.914 . . . . 0.0 111.577 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.79 84.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.633 0.651 . . . . 0.0 112.623 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -65.85 -32.91 74.7 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.53 1.059 . . . . 0.0 113.161 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -72.53 -41.81 65.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.536 1.134 . . . . 0.0 110.971 -178.159 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -79.7 -2.96 45.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.87 1.668 . . . . 0.0 113.149 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 54.7 28.59 10.32 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.097 2.159 . . . . 0.0 112.733 -176.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.41 -39.82 45.72 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.791 1.637 . . . . 0.0 112.39 -175.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.9 m80 54.25 11.64 0.41 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.529 2.332 . . . . 0.0 116.271 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -146.12 159.61 43.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.016 2.527 . . . . 0.0 110.309 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.9 mt -139.88 133.54 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 108.969 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.84 -57.22 3.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.749 1.22 . . . . 0.0 110.386 174.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -156.62 167.36 30.7 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.31 121.67 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.317 2.247 . . . . 0.0 110.965 170.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 t -82.53 127.62 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.027 1.731 . . . . 0.0 109.468 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.31 119.47 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.588 1.155 . . . . 0.0 111.605 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.74 122.94 6.06 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.143 1.354 . . . . 0.0 112.565 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -118.52 125.22 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.82 1.648 . . . . 0.0 109.329 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.21 140.0 46.31 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.086 0.851 . . . . 0.0 113.304 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.57 -14.45 62.95 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.412 -1.052 . . . . 0.0 113.188 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -114.85 11.58 16.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.039 2.136 . . . . 0.0 114.134 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 p -64.5 -22.44 66.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.9 13.32 1.44 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.596 2.359 . . . . 0.0 115.052 -171.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.8 mtt -75.31 144.95 42.18 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.101 -0.999 . . . . 0.0 111.417 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -77.26 90.24 3.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.096 0.958 . . . . 0.0 110.743 172.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -52.18 -38.6 58.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.106 1.362 . . . . 0.0 113.445 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.8 t -63.17 -48.42 78.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.322 1.849 . . . . 0.0 112.066 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.98 -47.17 86.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.018 0.927 . . . . 0.0 110.942 173.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.98 -54.83 40.01 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.377 0.671 . . . . 0.0 112.195 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.59 -46.0 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 p -64.93 -29.12 70.04 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.92 54.52 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.808 1.243 . . . . 0.0 111.153 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.65 -58.19 5.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.52 0.728 . . . . 0.0 111.098 171.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.23 -21.25 66.29 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -73.18 -57.07 4.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.717 1.607 . . . . 0.0 110.997 168.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.77 -9.91 53.58 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -46.79 -37.96 9.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.476 1.489 . . . . 0.0 112.441 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.3 -9.16 22.01 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -174.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -22.05 64.06 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.713 0.805 . . . . 0.0 112.481 165.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.7 m -141.27 130.69 23.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.966 1.706 . . . . 0.0 112.603 -173.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.16 -44.92 96.55 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.472 -1.393 . . . . 0.0 112.806 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 m -69.06 -23.14 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.547 1.139 . . . . 0.0 112.894 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -78.18 -23.89 47.44 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 125.843 1.657 . . . . 0.0 112.989 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.24 -17.59 64.83 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.1 -15.14 44.92 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.816 1.247 . . . . 0.0 113.858 170.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 155.9 33.91 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -170.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.7 mt -126.49 149.77 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 127.661 2.384 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.96 126.61 38.13 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.851 . . . . 0.0 110.455 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 86.01 2.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.063 1.345 . . . . 0.0 110.555 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.45 133.97 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 110.274 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.2 t -122.23 125.49 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.544 1.938 . . . . 0.0 110.002 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -72.37 102.59 3.19 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.976 1.31 . . . . 0.0 111.523 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.4 121.69 27.91 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.486 1.114 . . . . 0.0 111.356 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -59.94 137.24 58.12 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.266 1.026 . . . . 0.0 110.788 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.17 159.38 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.921 0.889 . . . . 0.0 111.649 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -151.7 135.86 16.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.133 0.973 . . . . 0.0 112.39 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.89 95.71 5.04 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 127.907 2.483 . . . . 0.0 110.901 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.69 161.99 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 129.309 3.044 . . . . 0.0 112.342 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 7.4 t -101.64 158.06 16.37 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.299 1.44 . . . . 0.0 112.471 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -61.25 -61.9 2.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.65 1.58 . . . . 0.0 114.851 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -132.56 60.92 1.68 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.25 -156.5 0.69 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.438 1.895 . . . . 0.0 111.879 -163.367 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p -145.77 12.8 1.31 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -132.82 140.22 47.87 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.292 1.037 . . . . 0.0 113.618 -176.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.38 138.97 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 127.902 2.481 . . . . 0.0 110.007 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.31 -174.5 3.71 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.497 1.519 . . . . 0.0 112.995 -174.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 145.53 30.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.604 1.162 . . . . 0.0 110.701 165.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.79 153.63 43.04 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.152 2.568 . . . . 0.0 112.399 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 . . . . . 0 CA--C 1.549 0.912 0 C-N-CA 127.643 2.377 . . . . 0.0 109.257 176.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 1.657 0 N-CA-C 114.786 0.674 . . . . 0.0 114.786 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -67.27 151.37 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.468 1.507 . . . . 0.0 112.48 170.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.26 137.23 57.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.853 0.861 . . . . 0.0 109.991 164.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -19.86 54.52 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -79.63 -55.43 5.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.274 1.03 . . . . 0.0 111.527 167.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -119.57 106.61 12.36 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.49 1.516 . . . . 0.0 111.34 -174.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -72.66 69.42 0.89 Allowed 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -163.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -143.39 151.57 40.56 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.231 2.612 . . . . 0.0 110.016 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -86.29 17.02 3.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 113.749 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.69 -4.98 21.97 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.3 1.84 . . . . 0.0 115.682 -174.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.4 m -52.11 146.44 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.529 1.532 . . . . 0.0 113.587 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.56 152.22 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.13 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.19 105.1 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.548 1.139 . . . . 0.0 108.22 -176.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 t -88.72 -12.3 42.68 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.908 0.883 . . . . 0.0 112.623 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -155.68 125.61 6.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.784 2.034 . . . . 0.0 107.607 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.03 7.02 81.27 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 123.909 0.766 . . . . 0.0 114.87 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.22 -49.22 70.51 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.711 1.604 . . . . 0.0 111.463 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.77 164.38 26.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.763 2.025 . . . . 0.0 110.827 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 ptm -87.56 155.68 19.86 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.11 0.964 . . . . 0.0 112.9 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -148.26 149.85 32.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.335 1.454 . . . . 0.0 111.819 172.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.09 151.23 47.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 165.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -113.97 -61.53 1.73 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.119 1.768 . . . . 0.0 111.041 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -150.21 167.14 27.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.942 1.697 . . . . 0.0 111.559 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -128.63 164.77 22.16 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.418 1.087 . . . . 0.0 111.165 168.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -131.43 140.33 49.6 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.929 1.692 . . . . 0.0 110.527 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 63.3 mtt -132.19 120.15 21.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.268 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 CA--C 1.544 0.713 0 C-N-CA 125.46 1.504 . . . . 0.0 109.606 175.042 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 . . . . . 0 N--CA 1.474 0.753 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.34 -42.84 92.44 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.821 -1.174 . . . . 0.0 112.501 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -80.36 1.24 29.68 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.9 t -57.86 -54.19 49.74 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.237 0.926 . . . . 0.0 111.755 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.83 -47.89 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.16 0.584 . . . . 0.0 110.769 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.75 -63.05 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.764 1.225 . . . . 0.0 111.153 -172.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -55.63 -39.42 70.82 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.599 1.56 . . . . 0.0 112.655 175.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -59.98 -43.82 94.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.121 0.568 . . . . 0.0 112.172 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -56.71 -46.7 81.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.873 0.869 . . . . 0.0 112.001 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.13 -51.63 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.198 0.599 . . . . 0.0 110.833 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.52 85.3 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.721 1.208 . . . . 0.0 112.919 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 mt -58.32 -51.29 70.42 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.62 1.568 . . . . 0.0 111.597 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.4 m -55.54 -49.25 73.15 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.762 0.825 . . . . 0.0 112.64 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.32 -54.6 41.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.822 0.849 . . . . 0.0 111.954 173.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.67 -49.2 78.67 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.326 1.05 . . . . 0.0 113.187 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -61.89 -39.86 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.205 -0.934 . . . . 0.0 111.808 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.41 86.87 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.942 0.792 . . . . 0.0 112.824 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -31.45 69.74 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.912 1.233 . . . . 0.0 113.086 172.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -74.51 -40.08 62.0 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.654 1.182 . . . . 0.0 111.339 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.99 -4.6 53.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.568 1.547 . . . . 0.0 113.013 171.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 59.54 26.2 15.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.873 2.069 . . . . 0.0 112.722 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.03 -39.53 25.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.165 1.786 . . . . 0.0 112.51 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 46.24 32.31 1.45 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.658 1.983 . . . . 0.0 114.431 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.51 167.4 9.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 128.912 2.885 . . . . 0.0 110.076 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -126.76 167.82 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 126.568 1.947 . . . . 0.0 109.081 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -120.05 -56.68 2.0 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.383 1.473 . . . . 0.0 111.45 164.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -152.47 116.56 4.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.884 0.765 . . . . 0.0 111.691 -168.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.26 106.13 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.929 1.291 . . . . 0.0 110.512 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 t -85.44 122.17 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.679 1.592 . . . . 0.0 110.015 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.82 128.32 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.968 1.307 . . . . 0.0 110.508 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.19 125.48 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.927 1.251 . . . . 0.0 111.74 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.96 117.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.203 1.401 . . . . 0.0 108.796 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 141.13 44.89 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.39 -9.02 51.65 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.978 -1.307 . . . . 0.0 113.261 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -103.63 8.51 37.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.691 1.997 . . . . 0.0 114.084 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.3 p -61.08 -27.21 68.19 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.59 18.68 4.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.153 2.181 . . . . 0.0 114.765 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.9 mtm -103.61 147.5 27.13 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.82 1.248 . . . . 0.0 112.455 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -82.08 114.22 20.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.719 1.208 . . . . 0.0 111.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -55.12 -36.94 66.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.379 1.072 . . . . 0.0 113.443 173.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 t -62.19 -45.01 95.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.287 1.435 . . . . 0.0 111.461 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.21 -46.62 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.694 0.797 . . . . 0.0 111.274 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.61 -53.57 56.5 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.33 -44.14 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.112 0.869 . . . . 0.0 112.332 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.3 t -60.21 -34.64 73.93 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 117.65 0.204 . . . . 0.0 111.473 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.65 -46.06 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.725 0.81 . . . . 0.0 111.693 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.82 -48.03 78.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.457 0.703 . . . . 0.0 111.858 173.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -64.27 -32.01 73.43 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.055 0.942 . . . . 0.0 113.445 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -64.25 -55.08 24.02 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.22 -0.925 . . . . 0.0 111.453 168.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -76.19 -7.9 55.86 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -53.72 -33.01 54.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.903 1.229 . . . . 0.0 113.705 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.75 -30.24 43.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.739 2.016 . . . . 0.0 114.104 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.25 -21.02 64.85 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.088 1.355 . . . . 0.0 114.071 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.3 m -138.83 126.28 21.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.207 1.403 . . . . 0.0 112.627 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.37 -44.97 80.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.576 1.15 . . . . 0.0 111.702 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -66.53 -26.82 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.801 0.84 . . . . 0.0 113.178 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -78.11 -22.78 48.37 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.807 1.243 . . . . 0.0 112.517 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.65 -9.95 56.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.182 0.993 . . . . 0.0 113.245 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.53 65.73 1.16 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.931 2.092 . . . . 0.0 110.041 169.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.47 160.21 40.72 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.054 1.741 . . . . 0.0 111.641 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.98 143.22 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.376 1.87 . . . . 0.0 108.885 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.79 155.45 37.6 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.11 0.964 . . . . 0.0 112.74 175.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.22 89.28 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.561 1.145 . . . . 0.0 111.236 160.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -77.02 104.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.568 1.147 . . . . 0.0 110.618 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.16 119.68 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.127 1.771 . . . . 0.0 109.885 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -71.61 110.46 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 110.31 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 139.92 36.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.711 0.804 . . . . 0.0 112.392 -177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -73.03 167.87 20.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.153 0.981 . . . . 0.0 111.81 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.424 HG12 ' HA3' ' A' ' 106' ' ' GLY . 4.8 m -122.78 158.98 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.419 1.487 . . . . 0.0 111.063 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -145.33 127.96 16.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.416 0.687 . . . . 0.0 112.517 -170.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -108.33 98.95 8.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.775 2.03 . . . . 0.0 110.269 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.8 147.38 48.98 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.946 2.098 . . . . 0.0 111.34 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.97 162.74 28.73 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 121.772 0.796 . . . . 0.0 110.993 154.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -61.14 -75.86 0.06 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.554 1.942 . . . . 0.0 114.639 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.12 61.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.621 1.568 . . . . 0.0 110.0 -169.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.27 -153.12 0.45 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.574 1.95 . . . . 0.0 111.273 -161.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.4 p -140.19 3.86 1.99 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -127.56 153.85 45.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.478 1.511 . . . . 0.0 113.202 -174.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.62 154.16 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.593 1.957 . . . . 0.0 109.942 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -140.38 -178.13 5.35 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.31 1.044 . . . . 0.0 112.964 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 140.36 21.13 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 125.542 1.537 . . . . 0.0 111.142 173.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.18 123.57 8.89 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.096 2.531 . . . . 0.0 111.57 -173.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.842 1.257 . . . . 0.0 111.091 177.84 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.033 0 CA-C-O 120.512 -0.049 . . . . 0.0 113.029 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.55 161.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.553 1.941 . . . . 0.0 112.09 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.06 128.27 36.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.05 0.928 . . . . 0.0 110.812 163.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -67.42 -22.81 65.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.917 0.887 . . . . 0.0 112.853 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -83.76 -50.32 8.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.301 1.04 . . . . 0.0 111.324 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -127.92 97.23 4.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.461 1.904 . . . . 0.0 111.294 -175.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -59.71 67.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.97 2.508 . . . . 0.0 116.561 -169.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.3 m -140.28 159.08 42.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.389 2.676 . . . . 0.0 111.568 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.41 8.92 19.74 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.249 2.219 . . . . 0.0 113.873 -176.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -65.61 -7.73 16.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.951 2.1 . . . . 0.0 116.192 -172.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.1 m -53.29 150.6 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.927 1.691 . . . . 0.0 114.319 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.87 153.41 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.819 1.648 . . . . 0.0 112.912 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.427 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.2 mp -78.31 113.55 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.412 1.485 . . . . 0.0 107.7 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.2 t -98.35 -11.82 22.11 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.246 1.018 . . . . 0.0 112.062 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -154.64 131.08 10.51 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.217 2.207 . . . . 0.0 107.779 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.424 ' HA3' HG12 ' A' ' 72' ' ' VAL . . . 112.73 -5.1 26.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.194 0.902 . . . . 0.0 115.251 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -61.47 -30.42 70.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.414 1.886 . . . . 0.0 113.371 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -144.05 -178.64 6.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.88 2.072 . . . . 0.0 112.101 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -105.5 149.88 25.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.39 1.076 . . . . 0.0 111.039 155.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -149.03 148.97 30.35 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.454 1.502 . . . . 0.0 111.044 175.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.78 158.48 15.64 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.813 -0.554 . . . . 0.0 112.422 167.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.86 -57.8 1.42 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 111.411 -175.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 m -150.05 167.81 25.71 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.222 1.409 . . . . 0.0 111.585 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 118.73 12.16 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 110.683 163.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -75.91 147.73 38.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.338 0.655 . . . . 0.0 109.779 170.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 56.0 mtt -137.57 140.15 40.85 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.169 1.788 . . . . 0.0 109.585 176.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.0 mt . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 124.715 1.206 . . . . 0.0 112.28 -179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 CA--C 1.54 0.575 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.25 -16.49 63.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.967 1.307 . . . . 0.0 114.404 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -95.73 -3.51 45.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.436 1.095 . . . . 0.0 113.6 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -54.35 -54.46 40.14 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.165 0.986 . . . . 0.0 111.859 172.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 p -55.79 -47.04 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.171 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.88 -55.04 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 111.83 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -56.31 -44.85 80.32 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.536 1.135 . . . . 0.0 111.519 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -61.83 -46.35 89.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.865 0.866 . . . . 0.0 112.279 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.66 -54.83 41.56 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.945 1.698 . . . . 0.0 110.89 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.62 -42.36 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.907 0.883 . . . . 0.0 111.796 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.03 92.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.77 -45.09 91.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.242 1.017 . . . . 0.0 111.896 174.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.0 m -53.05 -52.81 57.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.561 1.144 . . . . 0.0 112.554 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -51.47 -58.4 6.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.133 1.373 . . . . 0.0 111.486 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -48.27 82.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.832 1.253 . . . . 0.0 113.33 -176.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -64.34 -38.4 90.89 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.306 -0.872 . . . . 0.0 112.023 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.37 73.75 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.008 0.822 . . . . 0.0 112.395 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -64.21 -32.95 74.73 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.285 0.948 . . . . 0.0 112.925 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -74.31 -38.19 63.4 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.143 0.977 . . . . 0.0 111.38 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -79.96 -2.4 43.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.216 1.406 . . . . 0.0 113.151 171.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 56.34 29.15 14.56 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.757 2.023 . . . . 0.0 112.373 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.8 -37.71 34.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.96 1.304 . . . . 0.0 112.39 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 53.43 12.87 0.39 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.281 2.232 . . . . 0.0 115.743 -176.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -156.84 171.83 19.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.626 2.371 . . . . 0.0 111.477 165.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.6 mt -132.01 143.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.466 1.906 . . . . 0.0 109.004 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -83.45 -68.5 0.71 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.874 1.27 . . . . 0.0 109.854 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -139.71 115.03 9.82 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.824 1.65 . . . . 0.0 112.592 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.3 t -65.77 131.2 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 159.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.7 t -105.32 118.91 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.033 1.333 . . . . 0.0 109.413 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 t -134.43 129.75 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.109 0.964 . . . . 0.0 111.804 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.21 138.63 14.01 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.873 1.225 . . . . 0.0 112.893 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -127.67 125.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.724 1.61 . . . . 0.0 108.629 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.51 143.84 43.04 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.407 0.527 . . . . 0.0 112.211 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.74 -10.85 58.91 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.336 -1.097 . . . . 0.0 112.986 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -115.62 8.58 15.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.082 2.153 . . . . 0.0 114.17 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -67.89 -13.93 62.55 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.71 -6.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 128.812 2.845 . . . . 0.0 117.48 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -72.99 132.56 43.57 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.471 1.509 . . . . 0.0 110.829 172.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.37 111.4 3.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.726 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -53.69 -39.68 65.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.694 1.198 . . . . 0.0 113.22 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.22 -41.01 97.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.727 1.611 . . . . 0.0 112.281 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.59 -43.43 93.85 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.48 -0.762 . . . . 0.0 111.722 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.47 -53.17 61.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.361 0.982 . . . . 0.0 112.532 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 65' ' ' LEU . 9.7 p -61.32 -44.62 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 118.579 0.627 . . . . 0.0 112.615 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -62.02 -32.94 73.48 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.8 -44.23 70.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.487 -0.758 . . . . 0.0 111.611 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.78 -50.73 60.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.535 0.734 . . . . 0.0 112.069 169.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.63 -16.71 59.49 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -64.13 -54.95 25.83 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.662 -1.274 . . . . 0.0 111.046 164.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -86.19 8.96 19.02 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -50.51 -30.47 12.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.026 1.33 . . . . 0.0 113.381 175.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.39 -18.68 11.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.534 1.934 . . . . 0.0 114.351 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.52 -27.51 69.02 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.218 1.407 . . . . 0.0 113.411 172.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.1 m -153.75 130.48 10.81 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -174.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.63 -31.0 65.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.663 1.185 . . . . 0.0 112.771 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.24 -27.41 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.387 0.675 . . . . 0.0 112.68 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -88.41 -35.12 17.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.989 1.716 . . . . 0.0 112.521 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -56.51 -26.07 53.41 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -114.33 1.0 14.31 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.249 1.419 . . . . 0.0 113.989 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.25 170.81 9.69 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.754 1.221 . . . . 0.0 113.745 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.7 mt -124.06 158.76 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.012 2.125 . . . . 0.0 109.384 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 47' ' ' VAL . 6.0 tt -119.31 102.12 8.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.722 1.609 . . . . 0.0 109.885 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.62 98.52 9.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.95 2.5 . . . . 0.0 111.082 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.5 mt -80.32 134.75 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.914 1.286 . . . . 0.0 111.045 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.51 132.43 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.769 2.027 . . . . 0.0 110.746 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.4 110.56 8.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.113 1.365 . . . . 0.0 111.094 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.98 132.07 43.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.229 1.012 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -79.75 168.85 18.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.48 -0.762 . . . . 0.0 112.702 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.45 137.42 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.907 1.683 . . . . 0.0 109.829 -174.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -137.98 129.32 27.72 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.882 0.873 . . . . 0.0 111.936 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt -106.38 104.1 13.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.359 1.863 . . . . 0.0 110.939 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.26 149.88 30.23 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.447 -0.783 . . . . 0.0 112.393 168.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.9 t -79.28 150.77 31.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 0.0 111.681 169.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -58.95 -59.96 4.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.665 1.986 . . . . 0.0 114.637 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.3 58.79 1.71 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 111.495 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.94 -156.75 0.72 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.707 2.003 . . . . 0.0 111.485 -164.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.9 p -145.08 15.37 1.52 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -132.67 152.44 51.69 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.526 1.53 . . . . 0.0 112.452 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -139.13 150.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.534 1.933 . . . . 0.0 110.472 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -143.82 178.05 8.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.23 1.012 . . . . 0.0 113.073 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -97.2 142.75 25.01 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.552 1.541 . . . . 0.0 111.865 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.27 132.79 37.62 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.642 2.228 . . . . 0.0 113.414 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 m120 . . . . . 0 CA--C 1.549 0.942 0 C-N-CA 127.597 2.359 . . . . 0.0 110.046 176.026 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.331 0 N-CA-C 115.659 1.024 . . . . 0.0 115.659 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.3 m -62.72 153.0 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.65 1.18 . . . . 0.0 113.265 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.14 144.91 53.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.159 1.384 . . . . 0.0 111.214 173.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.39 -39.09 91.78 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.611 0.764 . . . . 0.0 111.814 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -75.31 -55.53 5.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.335 1.454 . . . . 0.0 112.268 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.6 p -119.0 127.28 53.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.424 1.49 . . . . 0.0 112.223 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -80.39 63.35 4.83 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.277 -1.514 . . . . 0.0 113.732 -167.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.4 t -144.97 155.31 43.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.125 1.77 . . . . 0.0 110.061 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -104.09 31.73 4.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.875 1.67 . . . . 0.0 112.647 -175.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.01 -1.28 3.91 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.611 2.765 . . . . 0.0 115.68 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -58.83 157.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.019 1.728 . . . . 0.0 113.83 -175.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.9 152.41 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.001 1.321 . . . . 0.0 112.795 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 103' ' ' ILE . 1.5 mp -73.2 111.71 8.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 125.31 1.444 . . . . 0.0 108.197 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.3 t -103.6 -5.83 22.28 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.374 1.07 . . . . 0.0 112.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -159.25 130.87 6.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 127.284 2.234 . . . . 0.0 107.467 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.35 14.54 55.62 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.705 1.042 . . . . 0.0 115.705 172.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -54.95 -45.61 74.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.765 1.626 . . . . 0.0 111.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.9 170.16 22.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.573 2.349 . . . . 0.0 111.242 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -66.25 165.2 14.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 113.323 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -159.71 145.16 15.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.1 1.76 . . . . 0.0 111.956 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.39 148.39 50.75 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.507 -0.746 . . . . 0.0 110.474 164.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.34 -60.15 1.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.345 1.458 . . . . 0.0 110.316 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.1 m -152.32 175.37 12.74 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.801 1.641 . . . . 0.0 111.243 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.84 169.86 8.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.68 1.192 . . . . 0.0 108.915 157.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 132.37 36.35 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.688 1.995 . . . . 0.0 108.126 170.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.0 mtt -131.68 127.64 37.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.05 1.34 . . . . 0.0 110.15 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt . . . . . 0 CA--C 1.537 0.455 0 C-N-CA 126.117 1.767 . . . . 0.0 110.788 -179.476 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 . . . . . 0 CA--C 1.543 0.673 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.14 -17.46 64.49 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.95 2.13 32.04 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.397 1.479 . . . . 0.0 113.381 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 t -61.08 -57.7 11.45 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.412 1.085 . . . . 0.0 110.202 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.16 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.958 0.903 . . . . 0.0 111.856 176.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.36 -57.62 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.499 1.519 . . . . 0.0 111.767 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -56.94 -41.07 77.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.375 1.07 . . . . 0.0 112.308 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -62.05 -40.87 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.163 -0.922 . . . . 0.0 113.124 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.02 -60.01 3.96 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.808 1.185 . . . . 0.0 109.982 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -52.99 -50.66 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.755 1.622 . . . . 0.0 111.567 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.88 81.68 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.55 -44.24 96.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.317 0.962 . . . . 0.0 111.574 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB3' HD11 ' A' ' 28' ' ' ILE . 94.8 m -58.68 -48.68 80.26 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.913 0.885 . . . . 0.0 111.91 173.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -55.66 -50.64 69.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.253 0.621 . . . . 0.0 112.129 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -64.7 -37.22 86.84 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.119 1.368 . . . . 0.0 113.232 -176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -70.09 -42.53 72.6 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.349 -0.844 . . . . 0.0 112.408 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.9 96.24 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.593 1.088 . . . . 0.0 112.8 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -66.06 -34.44 78.08 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -78.15 -37.57 45.66 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.773 1.229 . . . . 0.0 111.537 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -79.27 -3.22 44.96 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 170.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 57.84 25.97 12.67 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.831 2.052 . . . . 0.0 112.709 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.88 22.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.119 1.768 . . . . 0.0 112.313 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 48.53 26.67 1.23 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.87 2.068 . . . . 0.0 115.081 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -149.79 168.63 23.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.97 2.508 . . . . 0.0 111.244 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.416 HD11 ' HB3' ' A' ' 16' ' ' CYS . 69.4 mt -128.67 153.95 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.936 2.094 . . . . 0.0 108.224 167.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -99.84 -62.47 1.23 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.593 1.157 . . . . 0.0 109.306 161.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -149.5 170.31 18.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.755 1.222 . . . . 0.0 113.647 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.46 110.78 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.799 2.44 . . . . 0.0 108.552 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -86.61 120.77 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.251 1.821 . . . . 0.0 110.184 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.62 132.67 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.473 1.509 . . . . 0.0 110.068 -172.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 126.61 8.93 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 111.888 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.6 mt -128.9 119.75 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.384 1.474 . . . . 0.0 109.72 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.6 141.07 43.53 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.805 0.717 . . . . 0.0 112.615 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.01 -12.08 61.36 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.328 -1.101 . . . . 0.0 113.624 -173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -110.03 7.63 23.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.579 1.952 . . . . 0.0 113.963 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.1 p -61.06 -25.74 67.15 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.09 10.64 0.85 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.709 2.404 . . . . 0.0 115.107 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.7 mtm -84.28 141.42 30.97 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.051 0.94 . . . . 0.0 111.077 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -75.08 100.49 4.23 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.123 0.969 . . . . 0.0 111.501 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -56.78 -38.05 71.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.865 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -67.82 -40.72 83.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.163 1.385 . . . . 0.0 111.288 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.18 -48.73 79.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.808 0.843 . . . . 0.0 110.538 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.38 -50.35 73.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.28 0.946 . . . . 0.0 113.139 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.22 -40.01 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 t -62.85 -30.39 71.47 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.11 61.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.549 1.14 . . . . 0.0 111.113 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -54.35 -47.81 72.15 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.522 0.729 . . . . 0.0 112.301 172.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.18 -40.97 95.91 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.978 1.311 . . . . 0.0 112.66 175.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 111.659 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -83.65 2.97 34.97 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -51.1 -31.59 19.71 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.782 1.174 . . . . 0.0 113.353 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.2 -19.23 53.3 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.421 1.888 . . . . 0.0 114.177 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.15 -24.65 64.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.805 1.242 . . . . 0.0 113.56 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -139.18 119.21 13.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.183 1.393 . . . . 0.0 111.979 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.97 -28.51 57.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.797 1.239 . . . . 0.0 113.904 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.94 -20.26 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.496 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.14 -18.91 26.23 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.768 1.627 . . . . 0.0 113.855 -177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -63.83 -11.18 24.95 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -134.13 74.16 1.53 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.864 2.065 . . . . 0.0 110.137 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.04 170.47 18.3 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.887 1.675 . . . . 0.0 112.583 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.79 149.24 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 127.086 2.155 . . . . 0.0 109.455 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -113.5 103.9 11.73 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.238 1.415 . . . . 0.0 109.885 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.92 91.07 8.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.979 1.712 . . . . 0.0 111.49 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.0 101.38 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.053 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.7 t -78.97 116.53 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.25 1.82 . . . . 0.0 110.206 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -74.91 105.09 5.77 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.585 1.154 . . . . 0.0 110.264 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.77 149.48 24.82 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.188 0.995 . . . . 0.0 112.662 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -66.11 163.96 16.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.605 1.162 . . . . 0.0 111.273 167.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.5 t -130.17 142.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.528 1.531 . . . . 0.0 109.813 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -142.66 141.5 31.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.188 0.995 . . . . 0.0 111.871 -175.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.2 mt -115.14 103.98 11.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.076 2.15 . . . . 0.0 110.77 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.63 151.17 29.15 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.641 -0.662 . . . . 0.0 112.239 167.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.7 t -79.01 153.95 29.87 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.758 0.79 . . . . 0.0 111.436 166.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -62.43 -62.63 1.62 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.754 2.022 . . . . 0.0 114.422 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -128.71 58.09 1.59 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.765 1.626 . . . . 0.0 111.256 -169.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.3 -156.07 0.65 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.895 2.078 . . . . 0.0 111.425 -164.305 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -148.5 30.41 0.83 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.812 1.245 . . . . 0.0 112.47 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -144.13 149.39 36.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.847 1.259 . . . . 0.0 112.676 -172.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.45 152.73 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 126.499 1.92 . . . . 0.0 110.689 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -144.17 -179.96 6.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.251 1.421 . . . . 0.0 112.067 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 144.93 29.68 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 124.637 1.175 . . . . 0.0 112.305 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.08 121.39 8.01 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.175 2.583 . . . . 0.0 113.102 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 CA--C 1.546 0.798 0 C-N-CA 125.402 1.481 . . . . 0.0 111.691 175.53 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.364 0 N-CA-C 114.833 0.693 . . . . 0.0 114.833 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -65.06 156.4 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.147 1.779 . . . . 0.0 112.683 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.1 t -67.8 144.77 55.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.705 1.202 . . . . 0.0 111.372 173.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -63.73 -41.85 97.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.647 0.779 . . . . 0.0 111.845 -175.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -74.39 -57.12 4.15 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.488 1.115 . . . . 0.0 112.261 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.7 p -114.76 120.38 39.86 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.878 1.671 . . . . 0.0 111.749 -172.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 7.2 p80 -71.8 55.94 0.28 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.673 2.389 . . . . 0.0 114.457 -171.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 156.15 47.0 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.662 1.985 . . . . 0.0 110.565 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 28.44 6.6 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.306 1.842 . . . . 0.0 112.772 -175.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -66.73 -2.03 4.51 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.709 2.404 . . . . 0.0 115.506 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.31 154.7 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.02 1.728 . . . . 0.0 113.78 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.15 153.33 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.098 1.359 . . . . 0.0 113.375 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.0 mp -75.74 107.42 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.055 1.742 . . . . 0.0 109.173 -177.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.5 t -98.36 -6.42 30.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.539 1.136 . . . . 0.0 112.737 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -154.81 127.45 8.02 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 126.719 2.008 . . . . 0.0 107.925 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.84 17.99 79.3 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 123.467 0.556 . . . . 0.0 114.121 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -56.85 -40.83 76.83 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.477 1.911 . . . . 0.0 111.561 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -140.17 164.98 28.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.971 1.708 . . . . 0.0 111.643 172.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -74.18 148.34 41.74 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.343 1.057 . . . . 0.0 111.12 165.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -143.96 164.17 31.35 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.793 2.037 . . . . 0.0 111.027 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.67 154.98 34.89 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.595 -0.691 . . . . 0.0 110.948 158.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -119.89 -53.96 2.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.642 1.177 . . . . 0.0 111.123 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -162.61 173.62 13.68 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.351 1.46 . . . . 0.0 112.101 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -121.83 165.58 15.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.928 1.291 . . . . 0.0 109.076 165.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.37 151.29 51.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.094 1.757 . . . . 0.0 110.297 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.4 mtt -126.41 158.19 36.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.073 1.749 . . . . 0.0 110.899 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 125.746 1.618 . . . . 0.0 109.749 -179.398 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.1 -22.85 61.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.881 1.272 . . . . 0.0 114.309 171.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -103.31 -0.99 29.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.011 1.725 . . . . 0.0 113.469 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.8 t -61.1 -51.84 67.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.866 0.866 . . . . 0.0 110.682 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -47.16 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.084 0.953 . . . . 0.0 111.745 176.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -54.71 -59.58 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.612 1.565 . . . . 0.0 111.575 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.7 t -57.07 -43.35 82.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.958 1.303 . . . . 0.0 111.742 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -61.96 -41.47 98.02 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.428 0.691 . . . . 0.0 112.5 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.67 -43.51 96.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.066 0.848 . . . . 0.0 112.176 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.08 -50.22 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.727 1.211 . . . . 0.0 110.245 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.18 77.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.966 0.906 . . . . 0.0 112.774 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.95 -46.37 89.61 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.205 1.402 . . . . 0.0 112.107 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -56.48 -45.86 80.72 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.012 0.824 . . . . 0.0 111.891 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -58.45 -52.47 65.47 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.58 0.752 . . . . 0.0 112.26 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 65.4 mm-40 -57.16 -51.93 67.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.773 1.229 . . . . 0.0 112.766 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -62.97 -39.27 94.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.512 -0.743 . . . . 0.0 111.717 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.47 83.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.984 0.811 . . . . 0.0 112.391 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 18' ' ' GLU . 24.4 pttt -70.92 -31.28 67.85 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.528 1.058 . . . . 0.0 113.552 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -73.06 -37.11 66.95 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.072 0.949 . . . . 0.0 111.212 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -82.77 -5.03 58.72 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.484 1.514 . . . . 0.0 112.983 171.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 58.8 24.57 12.49 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.145 2.178 . . . . 0.0 113.002 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.69 58.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.165 1.786 . . . . 0.0 112.077 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 51.31 19.12 0.71 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 127.212 2.205 . . . . 0.0 115.542 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -153.15 167.08 30.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 129.062 2.945 . . . . 0.0 109.933 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.1 mm -116.92 166.29 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 126.503 1.921 . . . . 0.0 108.859 168.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -111.53 -66.69 1.06 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.177 1.391 . . . . 0.0 109.424 161.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -139.61 158.92 43.3 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.736 1.614 . . . . 0.0 112.084 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.66 110.69 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 127.079 2.152 . . . . 0.0 110.515 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.5 t -86.26 126.24 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.273 1.829 . . . . 0.0 110.051 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.0 t -133.64 124.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.649 1.579 . . . . 0.0 109.99 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.89 6.51 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 125.047 1.308 . . . . 0.0 111.054 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.01 118.33 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.198 1.399 . . . . 0.0 108.567 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.04 152.04 51.24 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.69 0.662 . . . . 0.0 113.234 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.36 -1.23 28.96 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.443 -1.033 . . . . 0.0 112.917 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -129.93 8.53 5.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.053 2.141 . . . . 0.0 113.592 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -68.89 -16.95 63.9 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.71 3.53 0.21 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.361 2.664 . . . . 0.0 117.363 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -72.56 153.48 41.27 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.676 1.19 . . . . 0.0 111.483 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -79.81 97.26 6.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.14 0.976 . . . . 0.0 110.701 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -57.25 -39.36 75.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.398 . . . . 0.0 112.949 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -61.53 -43.94 97.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.678 1.991 . . . . 0.0 112.116 172.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.0 -41.24 99.53 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.959 0.903 . . . . 0.0 111.523 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.22 -54.34 47.92 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.583 1.083 . . . . 0.0 112.535 176.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.52 -41.87 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 t -60.73 -33.67 73.26 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.83 60.8 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.216 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -52.14 -55.13 22.85 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.108 0.963 . . . . 0.0 111.678 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.02 -36.98 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.126 1.77 . . . . 0.0 113.265 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 m -64.47 -57.98 7.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.366 1.066 . . . . 0.0 111.552 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -79.77 -6.55 57.51 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -47.67 -36.64 11.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.841 2.456 . . . . 0.0 113.487 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.7 -11.74 19.25 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.32 -22.88 65.3 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -137.15 123.19 20.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.866 1.267 . . . . 0.0 112.263 -175.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.89 -35.03 73.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.165 0.986 . . . . 0.0 112.846 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.61 -23.04 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.377 1.071 . . . . 0.0 113.022 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 m -82.68 -27.33 31.33 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.95 1.7 . . . . 0.0 113.34 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -65.51 -2.68 3.56 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.373 1.469 . . . . 0.0 114.834 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -126.51 79.99 1.9 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.307 1.843 . . . . 0.0 109.678 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.03 164.36 35.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.603 1.561 . . . . 0.0 112.102 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.1 mt -136.74 134.89 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.189 1.796 . . . . 0.0 109.367 172.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.18 102.9 14.77 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.074 1.35 . . . . 0.0 110.816 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -78.49 91.76 4.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.607 1.163 . . . . 0.0 111.204 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.41 100.62 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 124.98 1.312 . . . . 0.0 110.005 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.08 125.2 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.171 1.789 . . . . 0.0 110.095 171.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -69.31 100.29 1.31 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 109.945 166.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 150.78 25.36 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.044 0.938 . . . . 0.0 111.214 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 166.05 22.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.649 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -132.68 137.77 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.458 1.503 . . . . 0.0 110.603 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -143.45 153.65 42.87 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.922 1.289 . . . . 0.0 111.283 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.3 mt -122.31 106.11 10.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.755 2.422 . . . . 0.0 111.396 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.61 154.28 27.51 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.455 166.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.3 t -79.12 159.38 27.49 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.872 0.869 . . . . 0.0 111.827 165.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.96 -69.42 0.28 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.629 1.972 . . . . 0.0 113.885 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -121.83 60.83 0.96 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.154 1.781 . . . . 0.0 110.929 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.452 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -147.05 -159.98 1.1 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.719 2.408 . . . . 0.0 110.412 -165.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.0 p -146.04 23.41 1.36 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.738 1.215 . . . . 0.0 113.928 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -131.39 149.87 52.37 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.697 1.599 . . . . 0.0 112.401 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.1 m -137.0 151.51 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.095 1.758 . . . . 0.0 111.204 172.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -143.76 175.69 9.8 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.267 1.427 . . . . 0.0 112.095 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 142.54 24.82 Favored Pre-proline 0 N--CA 1.478 0.973 0 O-C-N 120.723 -1.236 . . . . 0.0 112.502 -177.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.65 172.2 14.85 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.408 2.739 . . . . 0.0 114.002 -172.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 N--CA 1.48 1.05 0 C-N-CA 131.004 3.721 . . . . 0.0 113.696 177.806 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.608 0 N-CA-C 114.82 0.688 . . . . 0.0 114.82 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.88 163.05 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.447 1.499 . . . . 0.0 111.837 167.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.1 141.85 58.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 122.064 0.935 . . . . 0.0 110.713 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.86 -39.09 93.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.542 0.737 . . . . 0.0 111.828 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -77.76 -57.77 3.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.885 1.274 . . . . 0.0 112.524 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -113.16 125.33 54.23 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.339 1.456 . . . . 0.0 111.82 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -79.29 60.91 3.23 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.308 -1.495 . . . . 0.0 113.95 -166.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.0 m -139.03 154.87 48.28 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.103 2.161 . . . . 0.0 110.613 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.29 19.01 16.22 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.844 1.658 . . . . 0.0 113.211 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -68.94 -1.83 8.3 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.931 2.492 . . . . 0.0 115.861 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -55.83 150.39 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.519 1.528 . . . . 0.0 113.446 -175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.08 156.87 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.614 1.566 . . . . 0.0 112.516 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -68.17 106.54 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.971 1.308 . . . . 0.0 109.54 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -87.7 -12.51 45.14 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 121.653 0.739 . . . . 0.0 112.431 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -160.31 125.63 3.94 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.816 2.046 . . . . 0.0 107.765 -168.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.25 18.24 61.1 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 114.938 0.735 . . . . 0.0 114.938 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.87 -35.76 75.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.984 1.314 . . . . 0.0 113.004 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -142.22 164.53 29.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.89 1.676 . . . . 0.0 110.954 173.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -69.29 155.21 40.8 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.981 0.912 . . . . 0.0 111.322 164.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -151.4 160.81 43.57 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.307 1.443 . . . . 0.0 112.191 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -68.82 150.98 47.21 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.766 -0.584 . . . . 0.0 110.703 157.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.4 mt -116.66 -51.76 2.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.924 1.29 . . . . 0.0 111.56 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -161.86 169.13 21.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.132 1.373 . . . . 0.0 111.34 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.22 166.52 13.87 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.853 1.261 . . . . 0.0 110.899 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -133.33 148.95 51.91 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.658 1.583 . . . . 0.0 110.685 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 mtt -137.32 128.47 27.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.193 2.197 . . . . 0.0 109.73 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.2 mt . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 125.996 1.718 . . . . 0.0 111.607 -178.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.62 -43.52 84.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.659 1.183 . . . . 0.0 112.657 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -86.14 -1.66 57.62 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.1 t -62.9 -55.44 26.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.915 0.78 . . . . 0.0 111.153 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.12 -41.11 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.756 0.822 . . . . 0.0 112.266 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 50' ' ' PHE . 72.1 t -57.78 -65.59 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.731 2.013 . . . . 0.0 111.701 176.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.0 t -53.43 -43.08 67.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.329 1.051 . . . . 0.0 112.179 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t -59.26 -51.94 67.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.456 1.102 . . . . 0.0 112.3 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.5 -51.72 68.64 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.309 1.044 . . . . 0.0 112.264 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -54.62 -47.67 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.914 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.12 85.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.791 0.836 . . . . 0.0 113.085 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.93 -48.78 80.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.308 1.443 . . . . 0.0 112.156 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -62.85 -41.02 99.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.573 1.149 . . . . 0.0 112.408 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.98 -47.36 85.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.918 0.781 . . . . 0.0 111.976 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.25 -43.2 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.798 0.839 . . . . 0.0 112.695 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -62.68 -42.77 99.8 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.173 -0.955 . . . . 0.0 112.259 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.15 95.29 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.907 0.776 . . . . 0.0 112.664 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -66.6 -32.5 73.88 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.371 0.987 . . . . 0.0 113.076 172.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -74.38 -40.85 61.81 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.541 1.136 . . . . 0.0 111.587 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.71 -8.01 56.44 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.428 1.491 . . . . 0.0 112.85 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 57.75 28.82 16.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.828 2.051 . . . . 0.0 112.352 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.49 -36.56 71.16 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.441 1.496 . . . . 0.0 112.236 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.7 m80 54.71 10.99 0.4 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.215 2.206 . . . . 0.0 115.652 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -162.36 178.47 8.63 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.695 2.798 . . . . 0.0 110.937 168.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.1 mt -118.8 163.48 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 126.581 1.952 . . . . 0.0 108.554 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -105.24 -62.47 1.34 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.421 1.088 . . . . 0.0 109.559 162.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -155.74 111.99 3.12 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.657 1.183 . . . . 0.0 111.585 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m -74.65 142.02 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.731 -0.606 . . . . 0.0 109.637 166.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -124.84 125.78 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.52 1.528 . . . . 0.0 108.805 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.4 142.54 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.022 1.329 . . . . 0.0 110.69 -169.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.28 130.78 10.36 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.458 1.504 . . . . 0.0 111.793 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mt -123.14 119.9 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.104 1.362 . . . . 0.0 108.825 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.92 142.08 47.89 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.717 0.675 . . . . 0.0 112.804 -176.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.3 -3.29 19.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.306 1.042 . . . . 0.0 113.603 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -123.6 10.51 9.09 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.461 2.304 . . . . 0.0 113.692 170.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -66.68 -15.92 63.85 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.78 0.28 0.24 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 128.38 2.672 . . . . 0.0 116.747 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.3 ptp -77.1 152.96 34.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.849 1.204 . . . . 0.0 111.875 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -85.8 101.78 13.11 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.45 1.1 . . . . 0.0 110.889 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -51.0 -38.61 52.32 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.185 1.394 . . . . 0.0 113.655 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.3 t -63.25 -48.12 79.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.795 1.638 . . . . 0.0 112.291 174.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.58 -44.42 96.25 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.962 0.905 . . . . 0.0 111.517 175.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.02 -57.34 12.99 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.329 1.052 . . . . 0.0 112.804 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.2 -44.98 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.482 1.037 . . . . 0.0 113.704 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.7 p -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.94 66.99 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.14 0.976 . . . . 0.0 112.068 168.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HA ' HG13 ' A' ' 9' ' ' VAL . 61.0 t80 -54.35 -47.7 72.27 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.918 0.887 . . . . 0.0 112.506 171.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -63.35 -40.12 96.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.733 0.813 . . . . 0.0 112.584 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -59.4 -46.89 87.42 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.028 -1.045 . . . . 0.0 111.826 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -82.21 -0.43 45.16 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -57.48 -27.86 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 120.174 1.352 . . . . 0.0 113.394 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.83 -19.49 6.6 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.881 2.073 . . . . 0.0 114.332 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.85 -33.3 74.97 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.355 1.462 . . . . 0.0 113.43 174.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -140.04 125.29 18.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.565 1.146 . . . . 0.0 112.405 -167.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -35.33 69.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.226 1.01 . . . . 0.0 112.774 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 m -64.52 -27.02 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.695 1.198 . . . . 0.0 113.237 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.53 -27.79 23.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.693 1.597 . . . . 0.0 112.472 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.58 -12.26 59.99 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.292 1.437 . . . . 0.0 113.285 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -131.03 62.81 1.61 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.839 2.055 . . . . 0.0 110.219 172.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.24 170.95 14.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.954 1.701 . . . . 0.0 112.481 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.7 mt -135.75 147.64 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 127.302 2.241 . . . . 0.0 108.479 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 tp -120.92 107.5 12.76 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.606 1.562 . . . . 0.0 110.594 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -96.57 103.07 14.96 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.506 1.922 . . . . 0.0 112.771 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -82.2 122.15 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.025 0.93 . . . . 0.0 111.65 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.7 t -95.05 132.62 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 127.533 2.333 . . . . 0.0 109.636 166.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -75.2 101.87 4.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.278 1.031 . . . . 0.0 110.425 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.95 144.0 32.19 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.53 1.132 . . . . 0.0 112.188 -175.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 160.62 30.1 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.805 1.242 . . . . 0.0 111.722 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.92 143.42 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 110.836 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -145.46 144.59 30.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.573 1.149 . . . . 0.0 111.577 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.8 103.92 10.45 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.372 2.269 . . . . 0.0 110.502 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -82.65 152.17 25.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.008 0.923 . . . . 0.0 112.708 170.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.428 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 6.8 t -76.46 156.66 32.88 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.803 0.811 . . . . 0.0 111.718 165.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -62.14 -62.13 1.99 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.686 1.994 . . . . 0.0 114.62 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -129.67 56.2 1.73 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.566 1.546 . . . . 0.0 111.403 -167.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -145.22 -159.23 0.98 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.768 2.027 . . . . 0.0 111.444 -162.024 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -144.32 18.22 1.72 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.825 1.25 . . . . 0.0 114.356 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -128.86 149.18 50.87 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.631 1.573 . . . . 0.0 112.343 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -137.77 152.2 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.452 1.901 . . . . 0.0 110.232 172.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -140.16 179.82 6.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.572 1.149 . . . . 0.0 113.146 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.3 144.08 27.28 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.252 1.421 . . . . 0.0 111.706 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -69.46 178.15 4.67 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.749 2.966 . . . . 0.0 114.167 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.004 0 C-N-CA 129.271 3.029 . . . . 0.0 114.197 177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.655 0 N-CA-C 116.564 1.386 . . . . 0.0 116.564 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -72.04 163.24 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.74 1.27 . . . . 0.0 112.513 169.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 t -61.78 129.24 40.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.348 1.071 . . . . 0.0 110.443 165.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -65.38 -22.63 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.914 0.886 . . . . 0.0 112.619 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -83.99 -53.67 5.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.184 171.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.26 110.04 14.71 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.367 1.867 . . . . 0.0 111.201 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.474 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 6.5 p80 -64.09 58.89 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.417 2.687 . . . . 0.0 116.197 -171.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.5 m -139.3 163.26 32.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.807 2.843 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -106.47 25.18 11.45 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.719 1.607 . . . . 0.0 112.894 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -68.56 -2.74 9.58 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.535 2.334 . . . . 0.0 115.721 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 m -54.38 153.48 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.096 1.758 . . . . 0.0 114.313 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.05 155.2 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.027 1.731 . . . . 0.0 111.956 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.96 109.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.625 1.17 . . . . 0.0 108.492 -175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 t -89.87 -9.54 48.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.393 1.077 . . . . 0.0 112.893 -177.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -158.81 127.6 5.38 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.874 2.07 . . . . 0.0 107.994 -169.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.36 16.9 78.83 Favored Glycine 0 CA--C 1.538 1.48 0 N-CA-C 115.666 1.026 . . . . 0.0 115.666 174.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -64.11 -30.12 71.21 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.558 1.143 . . . . 0.0 112.753 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -144.98 171.71 14.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.068 2.147 . . . . 0.0 111.34 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.01 165.94 22.4 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -154.87 147.65 24.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.515 1.926 . . . . 0.0 111.291 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -70.48 153.56 42.81 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.384 -0.822 . . . . 0.0 111.293 163.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mp -114.43 -56.6 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.746 1.618 . . . . 0.0 110.904 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -159.43 168.98 24.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.957 1.303 . . . . 0.0 111.646 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.6 mt -125.78 110.99 14.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.638 1.575 . . . . 0.0 109.443 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -78.65 132.13 36.94 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.642 -0.661 . . . . 0.0 109.403 170.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.0 mtt -120.68 147.65 44.99 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.393 1.477 . . . . 0.0 111.028 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 mt . . . . . 0 CA--C 1.546 0.804 0 C-N-CA 124.116 0.966 . . . . 0.0 112.176 176.426 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.06 -37.12 76.29 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.289 -1.507 . . . . 0.0 112.836 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -81.3 4.01 22.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.389 1.476 . . . . 0.0 114.298 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 p -54.26 -58.22 8.23 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.548 1.139 . . . . 0.0 112.207 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.89 -47.31 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.196 0.999 . . . . 0.0 110.958 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.13 -61.77 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 124.814 1.246 . . . . 0.0 110.701 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 t -57.86 -42.6 84.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.003 1.321 . . . . 0.0 111.855 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.4 t -60.9 -51.11 70.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.883 0.873 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.11 -45.27 94.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.817 0.847 . . . . 0.0 111.753 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.76 -43.29 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.203 1.001 . . . . 0.0 111.861 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.84 -44.98 82.64 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.656 0.782 . . . . 0.0 112.079 172.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.67 -40.82 98.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.135 0.974 . . . . 0.0 112.502 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -55.12 -54.17 46.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.039 1.291 . . . . 0.0 111.724 171.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.36 -49.87 68.8 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.004 1.322 . . . . 0.0 112.045 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -61.96 -51.59 67.46 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.058 1.343 . . . . 0.0 113.041 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -59.35 -42.68 92.11 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.24 -0.913 . . . . 0.0 112.087 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.01 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.48 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -65.78 -31.57 72.62 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.704 1.138 . . . . 0.0 112.889 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -69.03 -42.75 75.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.779 1.232 . . . . 0.0 110.601 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -82.75 -0.38 47.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.282 1.433 . . . . 0.0 113.509 175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.85 30.25 13.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.856 2.062 . . . . 0.0 112.782 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.36 -39.39 32.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.636 1.574 . . . . 0.0 112.642 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 55.84 10.33 0.54 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.455 2.302 . . . . 0.0 116.209 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -163.42 173.12 13.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 129.535 3.134 . . . . 0.0 109.808 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.94 166.24 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.844 1.657 . . . . 0.0 109.39 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -108.4 -63.08 1.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.972 -1.08 . . . . 0.0 109.387 163.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -151.78 105.71 3.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.308 1.043 . . . . 0.0 112.561 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.79 143.97 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.961 0.904 . . . . 0.0 109.098 162.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.43 125.11 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.494 1.517 . . . . 0.0 108.582 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.85 144.33 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.333 1.453 . . . . 0.0 110.475 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.33 128.75 9.63 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.173 1.368 . . . . 0.0 111.408 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -127.83 127.52 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.845 1.258 . . . . 0.0 108.433 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.9 143.69 48.87 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.229 0.919 . . . . 0.0 113.126 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.89 -13.28 62.02 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.428 -1.042 . . . . 0.0 113.104 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -113.43 4.46 16.29 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.328 1.851 . . . . 0.0 114.147 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -19.5 65.89 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.55 16.08 2.38 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.495 2.318 . . . . 0.0 115.553 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.2 mtt -73.03 141.07 47.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.5 1.52 . . . . 0.0 111.385 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.11 95.23 3.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.101 0.961 . . . . 0.0 110.696 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -52.83 -37.26 59.81 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.508 1.123 . . . . 0.0 113.5 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.92 -40.35 97.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.838 1.655 . . . . 0.0 112.6 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.47 -49.81 72.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.847 0.859 . . . . 0.0 110.093 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.6 -41.41 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 176.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.4 t -61.6 -32.32 72.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.98 57.25 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.034 0.934 . . . . 0.0 111.575 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -52.9 -48.56 67.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.364 1.066 . . . . 0.0 112.327 173.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.3 -46.26 91.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.826 1.25 . . . . 0.0 112.177 174.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -55.2 -38.43 68.38 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.065 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.25 3.21 44.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.242 1.417 . . . . 0.0 114.217 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -55.29 -29.54 58.39 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.431 1.469 . . . . 0.0 113.987 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.78 -16.97 61.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.984 1.714 . . . . 0.0 114.37 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -83.83 -7.01 59.55 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -130.72 172.1 12.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.447 2.299 . . . . 0.0 110.256 173.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.56 -55.91 3.66 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.113 -0.992 . . . . 0.0 110.332 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 m -69.67 -22.27 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.193 1.797 . . . . 0.0 112.266 -170.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.58 -17.02 56.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.424 1.09 . . . . 0.0 112.215 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -28.43 69.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.952 0.797 . . . . 0.0 112.558 173.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -114.74 81.49 1.57 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.665 1.586 . . . . 0.0 109.706 172.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.43 166.56 27.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.18 1.792 . . . . 0.0 112.338 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mm -137.42 154.74 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 128.337 2.655 . . . . 0.0 107.518 168.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 tt -130.24 127.34 39.41 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.221 1.409 . . . . 0.0 110.783 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -117.46 110.17 17.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.24 1.816 . . . . 0.0 112.185 -171.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.24 103.41 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.324 1.05 . . . . 0.0 111.594 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.68 124.65 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.616 1.966 . . . . 0.0 110.419 166.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.55 100.28 4.52 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.339 1.455 . . . . 0.0 110.959 171.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.53 136.78 36.98 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.178 -0.951 . . . . 0.0 112.325 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 164.62 14.39 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.177 1.391 . . . . 0.0 111.713 169.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.73 150.03 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.643 1.577 . . . . 0.0 112.383 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.29 144.67 27.76 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.208 1.003 . . . . 0.0 111.657 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.54 110.25 16.67 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.116 2.166 . . . . 0.0 110.461 -172.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -93.35 153.49 18.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.722 0.809 . . . . 0.0 112.314 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 7.7 t -74.81 155.98 37.0 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.847 0.832 . . . . 0.0 111.616 166.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.95 -67.01 0.41 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 114.654 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -127.04 58.41 1.44 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.697 1.599 . . . . 0.0 110.82 -170.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.451 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -144.04 -157.56 0.8 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.487 1.915 . . . . 0.0 111.238 -163.149 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 t -135.48 -2.96 2.41 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -110.4 155.5 22.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.223 1.409 . . . . 0.0 114.155 -172.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 t -144.31 135.92 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 128.172 2.589 . . . . 0.0 109.431 -178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -136.49 177.69 7.65 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.058 1.343 . . . . 0.0 113.246 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 143.58 26.35 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 0.0 112.741 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -71.82 -177.15 2.37 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.63 2.887 . . . . 0.0 113.639 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 . . . . . 0 N--CA 1.478 0.97 0 C-N-CA 129.274 3.03 . . . . 0.0 114.291 -176.888 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 1.729 0 N-CA-C 116.41 1.324 . . . . 0.0 116.41 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.3 m -73.69 161.99 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 0.0 112.681 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.69 131.08 49.59 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.312 1.053 . . . . 0.0 110.513 163.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.1 -35.42 76.96 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.252 1.021 . . . . 0.0 111.79 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -78.23 -46.18 21.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.85 107.91 9.46 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.3 1.84 . . . . 0.0 111.33 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.459 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 6.2 p80 -64.57 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.006 2.522 . . . . 0.0 116.55 -169.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -137.59 156.36 48.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.637 2.775 . . . . 0.0 110.624 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -94.25 22.78 5.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.795 1.638 . . . . 0.0 113.693 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -68.4 -0.99 5.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.984 2.113 . . . . 0.0 116.055 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 20.3 m -54.94 153.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.809 1.644 . . . . 0.0 114.402 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.333 1.853 . . . . 0.0 112.569 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.43 108.11 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.239 1.416 . . . . 0.0 108.346 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -92.88 -9.04 41.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.327 1.051 . . . . 0.0 112.864 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -154.95 130.1 9.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.25 1.82 . . . . 0.0 108.099 -170.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.6 15.72 81.32 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.312 0.958 . . . . 0.0 115.235 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -71.41 -28.24 63.87 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.315 1.046 . . . . 0.0 112.8 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.88 168.84 21.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.661 1.984 . . . . 0.0 111.901 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -82.05 161.82 22.79 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.757 1.223 . . . . 0.0 113.915 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -158.25 155.64 29.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.457 1.903 . . . . 0.0 112.055 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -65.61 158.11 28.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.235 -0.916 . . . . 0.0 112.039 167.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.3 -60.49 1.41 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.018 1.327 . . . . 0.0 111.739 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.9 m -145.96 167.5 23.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.78 1.232 . . . . 0.0 112.748 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.7 104.57 5.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 108.939 168.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -76.33 142.54 41.22 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.621 0.769 . . . . 0.0 110.242 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.1 152.56 50.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.618 1.567 . . . . 0.0 110.849 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.546 0.815 0 C-N-CA 124.573 1.149 . . . . 0.0 112.359 -176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.616 -0.593 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.8 m -133.42 140.3 47.24 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 125.345 1.458 . . . . 0.0 111.555 -177.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 59.7 mtt -78.72 40.99 0.4 Allowed 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.957 1.703 . . . . 0.0 113.754 -176.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -57.06 -34.34 68.16 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 120.694 -1.254 . . . . 0.0 112.751 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.66 -21.31 60.34 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.023 1.329 . . . . 0.0 114.52 174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.06 -2.81 23.92 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.237 1.415 . . . . 0.0 113.53 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.3 t -61.87 -54.19 45.48 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.929 0.892 . . . . 0.0 111.047 174.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.8 p -57.29 -43.27 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 124.571 1.148 . . . . 0.0 112.474 176.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 95.4 t -59.82 -66.29 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 127.684 2.394 . . . . 0.0 111.359 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.7 t -50.63 -44.4 57.29 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.166 1.386 . . . . 0.0 112.153 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.0 t -56.87 -56.68 18.5 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.294 1.037 . . . . 0.0 112.134 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.63 -47.84 81.11 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 33.5 mt -62.89 -41.74 93.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.652 0.781 . . . . 0.0 111.114 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.6 -43.05 99.57 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.334 -0.853 . . . . 0.0 112.521 172.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.26 -47.01 86.95 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.627 1.171 . . . . 0.0 112.396 174.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 90.0 m -50.85 -53.09 35.28 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.888 0.875 . . . . 0.0 112.124 172.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.58 -45.18 92.63 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.369 1.068 . . . . 0.0 112.229 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -66.54 -35.65 80.76 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.015 1.326 . . . . 0.0 113.778 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -68.39 -44.2 75.61 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 121.019 -1.051 . . . . 0.0 111.994 170.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.69 -36.87 84.87 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -67.26 -35.05 78.71 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 118.808 0.731 . . . . 0.0 112.814 171.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -78.3 -39.86 38.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.801 1.24 . . . . 0.0 111.216 -172.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -78.56 -3.71 45.07 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.249 1.42 . . . . 0.0 112.978 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 55.48 29.42 13.28 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.859 2.063 . . . . 0.0 112.46 -178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.28 -37.11 26.35 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.986 1.714 . . . . 0.0 111.886 -178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 49.89 22.64 0.89 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.94 2.096 . . . . 0.0 115.031 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -149.58 169.92 19.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 128.136 2.574 . . . . 0.0 110.625 172.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.9 mm -119.48 171.56 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.035 0 C-N-CA 127.561 2.344 . . . . 0.0 108.177 164.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -125.14 -51.48 1.66 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.797 1.639 . . . . 0.0 110.494 165.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -144.61 156.93 44.37 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.334 1.453 . . . . 0.0 110.766 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.4 m -126.36 148.06 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.393 1.077 . . . . 0.0 109.187 157.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -127.12 129.06 71.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.147 1.379 . . . . 0.0 108.742 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.0 p -127.51 156.46 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.992 1.317 . . . . 0.0 110.749 -176.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.13 114.47 2.7 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 125.509 1.528 . . . . 0.0 110.305 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.7 mt -112.85 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.975 1.31 . . . . 0.0 109.068 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -66.16 141.99 42.23 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 124.247 0.927 . . . . 0.0 112.266 -178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -77.23 -1.01 27.37 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.619 -0.93 . . . . 0.0 112.952 -168.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -114.62 -1.25 13.39 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 128.308 2.643 . . . . 0.0 113.496 175.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.5 p -67.05 -20.15 65.79 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.37 9.96 0.84 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 127.92 2.488 . . . . 0.0 115.666 -176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.4 mtm -75.59 138.37 41.41 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 124.172 0.989 . . . . 0.0 111.614 176.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -76.66 108.18 9.49 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.069 0.948 . . . . 0.0 110.937 174.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -51.15 -39.76 57.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.506 1.122 . . . . 0.0 113.119 175.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.3 t -60.19 -44.65 94.93 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.636 1.975 . . . . 0.0 112.738 175.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.5 tp -64.17 -48.77 74.68 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.072 0.949 . . . . 0.0 111.642 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.419 ' CE2' HD21 ' A' ' 65' ' ' LEU . 48.9 t80 -58.9 -52.81 64.16 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.639 0.775 . . . . 0.0 112.587 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.4 p -59.54 -42.41 87.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 119.341 0.973 . . . . 0.0 113.325 175.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.8 t -60.38 -34.48 73.95 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 117.949 0.341 . . . . 0.0 111.701 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.08 -45.97 65.89 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 121.472 -0.767 . . . . 0.0 112.105 173.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -55.23 -47.73 74.92 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.859 1.264 . . . . 0.0 113.421 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -64.51 -32.7 74.46 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.998 1.319 . . . . 0.0 112.823 175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.7 m -67.37 -56.67 8.73 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.67 1.188 . . . . 0.0 111.581 176.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -73.86 -8.15 54.97 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -36.81 30.06 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 126.646 1.978 . . . . 0.0 112.646 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -63.49 -10.83 19.51 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.746 2.418 . . . . 0.0 115.348 -178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.61 -28.56 68.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.107 0.963 . . . . 0.0 113.163 174.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -138.72 129.54 26.45 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.887 1.275 . . . . 0.0 111.974 -169.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.64 -35.29 80.04 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.998 -1.064 . . . . 0.0 113.185 -174.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.5 m -69.05 -24.79 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.191 1.396 . . . . 0.0 112.56 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.3 m -80.41 -28.47 37.81 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 125.796 1.638 . . . . 0.0 113.241 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.5 mtmm -68.19 -27.3 66.28 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -168.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -89.62 73.48 7.71 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.116 1.367 . . . . 0.0 110.774 171.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.41 166.08 34.38 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.167 1.387 . . . . 0.0 112.387 178.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 31.6 mm -138.26 148.99 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.784 2.034 . . . . 0.0 109.022 165.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD21 ' CE2' ' A' ' 46' ' ' PHE . 2.8 tp -109.25 118.85 37.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.784 2.034 . . . . 0.0 110.749 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -105.6 111.28 23.91 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.82 2.048 . . . . 0.0 112.172 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.93 107.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.489 1.116 . . . . 0.0 112.061 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.99 122.19 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 125.051 1.341 . . . . 0.0 110.133 164.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -72.11 106.69 4.44 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.982 1.313 . . . . 0.0 110.261 168.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -96.65 148.23 23.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.127 0.971 . . . . 0.0 112.717 -173.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.87 179.43 7.26 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.417 1.487 . . . . 0.0 112.609 -176.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.6 t -112.41 140.34 32.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.572 1.549 . . . . 0.0 110.826 176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -143.18 136.82 28.54 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.105 1.362 . . . . 0.0 112.254 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -111.29 113.01 25.19 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 127.007 2.123 . . . . 0.0 110.707 -174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -93.12 149.43 21.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.389 1.476 . . . . 0.0 111.407 175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 4.4 t -96.33 139.79 31.94 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.009 0.924 . . . . 0.0 111.904 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -55.48 -70.44 0.11 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 127.993 2.517 . . . . 0.0 115.056 -171.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -112.28 25.53 11.45 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 127.054 2.142 . . . . 0.0 112.673 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 5.5 t -115.55 -146.32 0.4 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 128.719 2.808 . . . . 0.0 110.909 -160.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t -158.25 42.34 0.28 Allowed 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.824 0.849 . . . . 0.0 112.493 170.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -146.48 156.57 43.37 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.858 1.059 . . . . 0.0 113.858 -176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.8 t -146.61 134.35 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 127.801 2.441 . . . . 0.0 109.732 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -143.88 177.58 8.44 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.561 1.144 . . . . 0.0 113.844 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.93 143.3 25.89 Favored Pre-proline 0 N--CA 1.48 1.055 0 C-N-CA 126.135 1.774 . . . . 0.0 112.363 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -70.54 108.65 2.27 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 122.833 2.355 . . . . 0.0 111.285 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -136.21 -68.03 0.51 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.757 1.223 . . . . 0.0 112.495 -175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -72.84 165.4 24.96 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.014 0.926 . . . . 0.0 112.968 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.29 -63.38 0.76 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.426 1.49 . . . . 0.0 112.398 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -62.25 -44.16 97.18 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.218 1.007 . . . . 0.0 111.848 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -105.02 27.92 7.71 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 127.6 2.36 . . . . 0.0 112.051 175.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.9 23.66 2.07 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 127.313 2.387 . . . . 0.0 115.429 -175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 m -66.34 162.43 2.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 126.032 1.733 . . . . 0.0 112.428 172.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.5 t -65.0 147.53 53.31 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-O 122.22 1.01 . . . . 0.0 111.535 172.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -65.46 -44.59 86.75 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.049 0.94 . . . . 0.0 112.064 -175.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -74.98 -56.33 4.85 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.713 1.205 . . . . 0.0 112.123 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 10.3 p -113.72 123.21 49.33 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.211 1.404 . . . . 0.0 112.009 -172.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -79.59 67.97 5.5 Favored 'General case' 0 CA--C 1.545 0.788 0 O-C-N 120.248 -1.532 . . . . 0.0 113.41 -168.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.1 t -144.79 164.37 31.24 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.329 1.852 . . . . 0.0 110.966 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -104.77 21.63 16.59 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.52 1.928 . . . . 0.0 112.377 -177.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -65.74 -4.95 7.32 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.756 2.022 . . . . 0.0 115.229 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.79 152.51 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 126.067 1.747 . . . . 0.0 113.684 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.09 156.25 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.39 1.476 . . . . 0.0 112.735 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 10.4 mm -70.22 109.86 3.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 C-N-CA 124.828 1.251 . . . . 0.0 109.276 176.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.9 t -94.08 -11.5 30.48 Favored 'General case' 0 N--CA 1.48 1.057 0 CA-C-O 121.245 0.545 . . . . 0.0 112.01 173.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.4 tp60 -160.18 129.66 5.15 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 127.135 2.174 . . . . 0.0 107.725 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 127.13 -32.33 3.62 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 124.612 1.101 . . . . 0.0 114.223 176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -86.24 -23.55 26.36 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.371 1.069 . . . . 0.0 113.468 176.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -122.22 138.23 54.56 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.045 1.338 . . . . 0.0 112.181 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -83.36 155.06 23.72 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.258 1.423 . . . . 0.0 111.649 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 25.6 ptt-85 -151.38 157.04 41.91 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.301 1.44 . . . . 0.0 111.525 168.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -67.95 145.03 54.92 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.957 -0.464 . . . . 0.0 111.083 163.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mp -105.62 -55.52 2.31 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.077 1.351 . . . . 0.0 111.102 -177.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.3 t -162.13 170.69 18.69 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.271 1.429 . . . . 0.0 111.323 174.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mt -128.97 163.0 26.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.37 1.468 . . . . 0.0 110.321 170.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -136.6 150.17 48.42 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.562 1.545 . . . . 0.0 111.106 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.9 mtt -129.42 151.52 49.97 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.273 1.829 . . . . 0.0 111.206 177.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.9 tp -106.53 119.39 39.16 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.252 1.821 . . . . 0.0 109.109 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.79 -23.24 65.18 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 . . . . . 0 N--CA 1.47 0.563 0 C-N-CA 125.268 1.427 . . . . 0.0 112.903 -170.362 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.568 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t -140.94 165.58 27.15 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.425 1.49 . . . . 0.0 111.891 177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 89.1 mtp -130.99 10.68 5.02 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.791 2.036 . . . . 0.0 112.827 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.9 t60 -58.45 -24.85 61.35 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 -173.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -59.52 -22.66 61.96 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 120.751 -1.218 . . . . 0.0 113.99 172.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -91.31 5.16 50.34 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.731 1.613 . . . . 0.0 113.584 176.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.7 t -54.84 -55.85 25.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.653 1.181 . . . . 0.0 111.518 175.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.3 t -56.6 -48.8 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.046 0.538 . . . . 0.0 110.931 175.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.6 t -55.19 -57.27 7.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 C-N-CA 125.271 1.428 . . . . 0.0 111.591 -173.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.1 t -57.9 -43.97 86.48 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.983 1.313 . . . . 0.0 111.844 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 m -64.39 -39.01 93.02 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -54.7 44.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.473 1.509 . . . . 0.0 110.164 175.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 87.5 mt -55.13 -48.59 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.279 1.431 . . . . 0.0 111.62 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.48 -46.73 86.06 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.34 1.056 . . . . 0.0 113.242 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.5 mt -59.92 -50.77 72.48 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.563 1.145 . . . . 0.0 111.331 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.9 m -55.23 -47.39 75.42 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.902 0.881 . . . . 0.0 112.924 175.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -54.44 -54.69 37.4 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.758 1.223 . . . . 0.0 111.435 173.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -59.01 -48.28 82.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.603 1.161 . . . . 0.0 112.909 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -60.69 -42.27 96.83 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.449 -0.782 . . . . 0.0 111.76 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.13 -45.14 78.02 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.672 -0.643 . . . . 0.0 112.701 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -66.25 -32.47 73.91 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 119.664 1.12 . . . . 0.0 112.82 174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -75.42 -37.74 60.23 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.898 0.879 . . . . 0.0 111.501 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -79.49 -2.13 40.67 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.188 1.395 . . . . 0.0 112.938 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 56.17 27.31 11.4 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.907 2.083 . . . . 0.0 112.69 -177.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.46 -34.87 41.15 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.583 1.553 . . . . 0.0 111.942 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 34.7 m80 55.68 9.84 0.46 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 127.442 2.297 . . . . 0.0 115.586 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -153.61 171.17 19.2 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 128.452 2.701 . . . . 0.0 110.558 167.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 mt -103.72 162.1 4.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.86 1.264 . . . . 0.0 108.601 166.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -99.85 -57.67 2.09 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.148 -0.97 . . . . 0.0 109.027 156.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -144.21 153.7 42.36 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.886 1.274 . . . . 0.0 112.632 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.0 p -123.31 147.25 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.519 1.927 . . . . 0.0 109.874 163.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -127.51 119.03 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 124.99 1.316 . . . . 0.0 109.711 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.1 p -107.43 141.71 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.426 1.491 . . . . 0.0 110.959 179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -107.71 119.83 5.9 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 126.093 1.806 . . . . 0.0 110.748 174.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mt -124.5 122.9 64.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.842 1.257 . . . . 0.0 108.608 -178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.02 143.64 46.76 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 123.295 0.474 . . . . 0.0 112.499 -174.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -68.9 -12.79 61.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 121.467 -1.019 . . . . 0.0 112.872 -175.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -116.8 8.85 13.75 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.958 2.103 . . . . 0.0 114.081 171.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.6 m -66.02 -14.61 61.96 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 174.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.68 13.55 2.7 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.549 2.34 . . . . 0.0 115.873 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 55.6 mtt -76.18 173.4 11.39 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.612 1.565 . . . . 0.0 111.714 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -124.48 102.65 7.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.734 1.214 . . . . 0.0 111.275 176.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -56.56 -33.92 66.6 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.567 1.547 . . . . 0.0 114.198 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.1 t -65.62 -44.45 86.48 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.674 1.19 . . . . 0.0 110.918 179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.42 -45.16 94.36 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 122.072 -0.393 . . . . 0.0 110.308 171.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -59.74 -54.32 47.66 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 123.492 0.495 . . . . 0.0 111.847 -171.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.3 p -62.22 -42.45 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.0 t -61.4 -32.54 72.48 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 118.167 0.44 . . . . 0.0 111.814 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.49 62.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.227 1.011 . . . . 0.0 111.615 173.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -53.33 -50.24 65.4 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 118.73 0.695 . . . . 0.0 112.484 170.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -63.45 -34.54 77.98 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.377 1.071 . . . . 0.0 113.156 177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.6 m -64.31 -50.24 68.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.316 -0.865 . . . . 0.0 111.474 171.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -78.55 -8.18 58.32 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.022 1.329 . . . . 0.0 114.347 -176.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -54.45 -27.75 39.5 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.968 1.307 . . . . 0.0 113.729 -172.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -48.88 -31.2 6.83 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.492 1.917 . . . . 0.0 114.063 174.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -60.35 -18.56 50.85 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 126.006 1.722 . . . . 0.0 114.334 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 t -147.04 134.82 21.19 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.3 -28.39 66.73 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.852 1.261 . . . . 0.0 113.331 176.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.4 m -70.26 -33.75 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 119.019 0.827 . . . . 0.0 111.83 177.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.5 m -81.19 -24.91 37.16 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.769 1.627 . . . . 0.0 113.177 -173.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -69.33 -10.55 58.39 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.589 1.556 . . . . 0.0 114.671 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -137.29 57.92 1.73 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.828 1.651 . . . . 0.0 111.174 177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.26 170.07 17.51 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.532 1.533 . . . . 0.0 113.337 -175.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.01 141.29 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 126.112 1.765 . . . . 0.0 110.479 174.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.0 tp -113.19 107.71 16.28 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.963 1.705 . . . . 0.0 109.506 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.44 145.13 24.99 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.518 1.127 . . . . 0.0 111.957 178.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.5 mm -103.72 146.3 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.571 1.548 . . . . 0.0 110.755 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.48 121.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 126.821 2.049 . . . . 0.0 109.155 166.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -71.22 99.73 1.96 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.155 0.982 . . . . 0.0 110.045 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.76 136.75 43.66 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.889 1.275 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -63.59 164.16 10.04 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.727 0.811 . . . . 0.0 111.211 170.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.28 159.98 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 124.804 1.241 . . . . 0.0 112.257 178.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -153.2 139.54 18.54 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.204 0.601 . . . . 0.0 112.493 177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.7 mt -110.26 101.04 9.82 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 127.944 2.498 . . . . 0.0 111.125 -178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -83.43 146.25 28.53 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.945 1.698 . . . . 0.0 112.144 170.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -84.82 150.04 25.3 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.062 1.345 . . . . 0.0 113.009 173.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -60.54 -59.52 5.27 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.351 1.861 . . . . 0.0 114.789 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.16 58.04 1.73 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.658 1.583 . . . . 0.0 111.178 -169.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.74 -154.33 0.51 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.424 1.89 . . . . 0.0 111.144 -165.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 62.3 p -149.96 16.85 0.87 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.52 1.528 . . . . 0.0 113.294 178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -136.07 150.52 49.19 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.242 1.817 . . . . 0.0 111.8 -171.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.4 m -138.13 151.93 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.995 1.718 . . . . 0.0 110.304 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -139.75 -175.88 4.37 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.674 1.59 . . . . 0.0 111.565 177.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -118.89 145.37 37.72 Favored Pre-proline 0 N--CA 1.477 0.876 0 C-N-CA 124.443 1.097 . . . . 0.0 112.082 178.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.61 111.61 1.93 Allowed 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 123.816 3.011 . . . . 0.0 112.278 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -145.56 -57.46 0.32 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.055 1.342 . . . . 0.0 112.137 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.87 166.78 14.87 Favored 'General case' 0 CA--C 1.546 0.788 0 C-N-CA 124.138 0.975 . . . . 0.0 113.305 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.42 -69.49 0.69 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.682 1.593 . . . . 0.0 111.578 177.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -65.78 -23.44 66.72 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.717 1.207 . . . . 0.0 113.453 -175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -123.83 21.02 9.21 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 127.262 2.225 . . . . 0.0 112.668 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.01 22.15 1.25 Allowed Glycine 0 CA--C 1.541 1.66 0 C-N-CA 126.642 2.068 . . . . 0.0 115.787 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.2 m -68.65 167.08 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 126.547 1.939 . . . . 0.0 112.034 168.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -61.26 135.53 57.76 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.967 0.889 . . . . 0.0 111.192 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.26 -39.82 88.13 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.394 1.077 . . . . 0.0 111.971 -175.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.1 mtpt -72.88 -60.92 2.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.805 1.242 . . . . 0.0 112.209 172.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.7 p -116.16 105.93 13.15 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.744 1.618 . . . . 0.0 111.375 -168.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 4.3 p80 -61.48 64.76 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 128.331 2.652 . . . . 0.0 116.14 -171.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.3 m -145.19 159.6 42.75 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 128.172 2.589 . . . . 0.0 111.163 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -95.06 21.39 7.8 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.101 2.161 . . . . 0.0 113.425 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.59 -4.91 9.68 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.551 1.941 . . . . 0.0 115.791 -175.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -57.57 157.59 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.838 1.655 . . . . 0.0 114.462 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.25 154.34 40.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 126.145 1.778 . . . . 0.0 112.128 176.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -79.45 108.26 12.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 C-N-CA 124.948 1.299 . . . . 0.0 108.386 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.4 t -93.81 -4.43 50.19 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.167 0.987 . . . . 0.0 113.018 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.3 tp60 -158.05 127.31 5.78 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.426 1.89 . . . . 0.0 108.135 -171.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 75.31 19.08 79.8 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 115.548 0.979 . . . . 0.0 115.548 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -65.41 -34.23 77.8 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.498 1.119 . . . . 0.0 112.274 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -146.73 170.94 15.94 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.416 1.887 . . . . 0.0 111.91 175.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -71.45 165.66 23.35 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -155.87 161.71 40.54 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 127.668 2.387 . . . . 0.0 111.203 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -69.99 157.0 38.31 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.29 -0.881 . . . . 0.0 111.211 157.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.9 mt -119.05 -52.82 2.29 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.566 1.146 . . . . 0.0 111.595 175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.2 t -159.36 171.96 18.84 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.788 0.835 . . . . 0.0 112.952 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -133.51 163.49 29.27 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.069 1.748 . . . . 0.0 110.423 165.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -141.13 147.97 39.33 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.454 1.502 . . . . 0.0 110.44 173.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 2.8 mpt? -128.01 161.59 28.79 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.219 1.408 . . . . 0.0 111.065 175.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.38 67.43 0.33 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.612 1.965 . . . . 0.0 113.926 -175.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.39 -55.1 8.63 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.886 1.674 . . . . 0.0 113.191 -177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 . . . . . 0 N--CA 1.472 0.634 0 C-N-CA 124.633 1.173 . . . . 0.0 112.121 -178.238 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 t -142.39 171.71 13.69 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.471 1.508 . . . . 0.0 111.871 177.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.9 mmt -130.68 7.6 4.83 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.129 2.172 . . . . 0.0 112.413 174.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -63.8 -15.99 60.13 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 125.17 1.388 . . . . 0.0 114.229 -177.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.52 -38.39 5.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.598 2.359 . . . . 0.0 112.312 174.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -72.94 -3.45 25.94 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.792 1.237 . . . . 0.0 114.115 175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.3 p -52.61 -54.06 38.3 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.354 1.862 . . . . 0.0 112.432 176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 18.2 t -56.58 -51.07 70.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.582 0.753 . . . . 0.0 110.406 171.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.5 t -59.8 -60.52 2.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 C-N-CA 124.472 1.109 . . . . 0.0 111.642 -168.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.3 t -57.12 -40.07 76.36 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.757 1.223 . . . . 0.0 112.074 175.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -60.79 -39.2 87.98 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.784 -0.573 . . . . 0.0 112.06 175.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.82 -52.15 66.21 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.144 1.378 . . . . 0.0 111.456 172.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.0 mm -56.75 -50.72 73.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.453 0.701 . . . . 0.0 111.014 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.46 -49.04 79.34 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.375 1.07 . . . . 0.0 112.887 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.85 -41.9 97.69 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.077 1.351 . . . . 0.0 112.107 177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.4 t -58.27 -50.35 73.89 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.419 1.487 . . . . 0.0 111.826 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -57.24 -48.32 79.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.564 1.146 . . . . 0.0 112.067 173.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.1 -46.76 87.48 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.29 1.036 . . . . 0.0 112.905 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -60.57 -42.03 95.81 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.247 -0.908 . . . . 0.0 111.978 173.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.97 89.86 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -177.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -67.13 -31.04 71.23 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.366 0.985 . . . . 0.0 113.08 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.6 tmtm? -72.59 -42.87 64.1 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.409 1.084 . . . . 0.0 110.595 -178.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -81.04 -1.32 43.57 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.663 1.185 . . . . 0.0 113.367 172.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 56.18 29.55 14.93 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.864 2.065 . . . . 0.0 112.798 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.99 -41.1 23.27 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.626 1.57 . . . . 0.0 112.51 -177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 54.2 2.1 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 128.366 2.667 . . . . 0.0 117.339 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -143.03 161.87 36.99 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 128.312 2.645 . . . . 0.0 109.762 165.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.0 mm -112.81 168.1 5.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.507 1.523 . . . . 0.0 110.127 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -122.73 -53.23 1.88 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.715 1.606 . . . . 0.0 111.173 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 tpp85 -158.4 108.81 2.1 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.228 1.011 . . . . 0.0 112.85 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -70.23 138.13 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.348 -0.845 . . . . 0.0 108.969 163.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.3 t -128.72 125.71 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.297 1.439 . . . . 0.0 109.613 -177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.4 t -131.0 136.89 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.584 1.554 . . . . 0.0 109.945 -169.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.88 107.12 2.92 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 125.635 1.588 . . . . 0.0 111.54 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.6 mt -109.67 129.27 64.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.859 1.264 . . . . 0.0 108.36 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.24 46.88 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 121.989 -0.444 . . . . 0.0 112.582 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -69.13 -9.09 51.07 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.247 -1.149 . . . . 0.0 113.139 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -117.59 10.41 13.44 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.05 2.14 . . . . 0.0 114.088 170.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -68.42 -4.62 15.38 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 175.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.51 24.15 8.32 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.876 2.07 . . . . 0.0 115.556 171.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.0 ptp -119.42 129.97 55.05 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.792 1.637 . . . . 0.0 111.602 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -73.99 111.0 8.73 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.706 1.203 . . . . 0.0 111.586 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -54.78 -29.64 54.78 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.361 1.465 . . . . 0.0 114.468 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.8 t -59.44 -37.58 78.49 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.645 1.578 . . . . 0.0 112.572 175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.88 -45.11 79.08 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 121.633 -0.667 . . . . 0.0 109.79 173.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -61.86 -51.9 66.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 111.816 -171.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -61.64 -42.37 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 N-CA-C 112.014 0.376 . . . . 0.0 112.014 175.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.6 t -60.31 -34.34 73.66 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 118.135 0.425 . . . . 0.0 111.872 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.41 -48.56 64.33 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.78 0.832 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -54.59 -46.7 73.82 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.359 1.063 . . . . 0.0 112.711 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -57.46 -42.0 81.66 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.884 1.674 . . . . 0.0 112.624 176.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -66.02 -54.03 31.17 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.696 1.198 . . . . 0.0 112.37 174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -73.52 -2.23 21.83 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 114.995 1.48 . . . . 0.0 114.995 -173.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -32.44 17.45 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.258 1.423 . . . . 0.0 114.449 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.75 -18.3 65.23 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.448 1.899 . . . . 0.0 113.958 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -64.22 -8.72 13.49 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 125.721 1.609 . . . . 0.0 113.414 168.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 p -128.41 -173.92 3.09 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 127.584 2.354 . . . . 0.0 112.26 170.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.67 -48.91 4.35 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.199 0.6 . . . . 0.0 111.913 154.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -60.67 -29.43 44.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.764 1.226 . . . . 0.0 113.113 -170.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -13.62 57.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.247 0.619 . . . . 0.0 112.473 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -63.68 -37.45 87.4 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 121.333 -0.854 . . . . 0.0 111.845 172.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -98.34 65.32 1.66 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.173 1.389 . . . . 0.0 110.691 165.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -146.01 155.07 42.56 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.214 1.405 . . . . 0.0 112.282 173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 4.1 mp -131.88 150.3 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 127.932 2.493 . . . . 0.0 108.511 176.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 tt -123.77 132.37 53.78 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.631 1.573 . . . . 0.0 111.302 -177.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -124.38 107.83 11.54 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.429 1.891 . . . . 0.0 111.424 -166.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.6 mp -88.67 110.8 21.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 123.656 0.782 . . . . 0.0 111.583 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.7 t -79.35 129.31 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 126.051 1.74 . . . . 0.0 109.988 165.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -77.41 101.28 6.31 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.748 1.219 . . . . 0.0 110.817 170.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -81.58 142.04 33.18 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.858 1.263 . . . . 0.0 112.216 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.1 163.12 28.61 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.24 1.416 . . . . 0.0 112.359 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.6 t -128.11 140.67 48.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 125.486 1.514 . . . . 0.0 110.41 -168.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -133.71 134.01 42.51 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.599 1.16 . . . . 0.0 112.276 -171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.04 102.36 10.83 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.988 1.715 . . . . 0.0 111.797 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -87.49 148.09 25.09 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 127.001 2.12 . . . . 0.0 111.985 172.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 3.9 t -84.85 153.3 23.01 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.309 1.043 . . . . 0.0 113.221 173.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -62.26 -61.41 2.48 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.553 1.941 . . . . 0.0 114.576 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -130.05 58.45 1.66 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.722 1.609 . . . . 0.0 111.146 -170.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.424 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.52 -157.95 0.82 Allowed 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.96 2.104 . . . . 0.0 111.512 -165.012 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 t -149.65 37.69 0.74 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.87 1.268 . . . . 0.0 111.849 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -147.95 147.96 30.25 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.945 1.298 . . . . 0.0 112.586 -172.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.85 154.0 23.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 126.409 1.883 . . . . 0.0 110.748 172.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -144.61 178.23 8.12 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.899 1.279 . . . . 0.0 114.086 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.86 134.02 36.3 Favored Pre-proline 0 N--CA 1.482 1.146 0 C-N-CA 126.812 2.045 . . . . 0.0 111.144 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -64.36 118.3 5.27 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.986 2.457 . . . . 0.0 112.166 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -144.25 -76.51 0.23 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.652 1.181 . . . . 0.0 112.233 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.08 168.62 19.63 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.635 1.174 . . . . 0.0 113.467 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.66 -67.77 0.67 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.751 1.621 . . . . 0.0 112.122 179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.54 -26.41 68.69 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.181 0.993 . . . . 0.0 113.111 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -123.64 24.47 8.49 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 128.582 2.753 . . . . 0.0 111.401 174.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.69 31.84 3.53 Favored Glycine 0 N--CA 1.474 1.206 0 C-N-CA 127.606 2.527 . . . . 0.0 113.858 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.8 m -68.52 161.87 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 126.674 1.989 . . . . 0.0 112.685 177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -65.33 140.2 58.65 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 122.075 0.94 . . . . 0.0 111.375 169.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -61.52 -40.21 93.81 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.248 1.019 . . . . 0.0 111.93 -175.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -75.75 -56.53 4.59 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.441 1.096 . . . . 0.0 112.076 174.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.81 111.77 20.18 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.799 1.64 . . . . 0.0 112.061 -172.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.48 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 6.7 p80 -65.25 57.67 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 128.663 2.785 . . . . 0.0 116.0 -171.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.5 m -140.4 155.64 46.67 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.482 2.313 . . . . 0.0 111.296 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -88.6 20.62 3.32 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 126.027 1.731 . . . . 0.0 113.638 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -66.74 -4.17 8.4 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.961 1.838 . . . . 0.0 115.961 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.3 m -57.1 156.65 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.786 1.635 . . . . 0.0 114.409 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.62 156.58 42.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 126.542 1.937 . . . . 0.0 111.93 176.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.483 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.8 mp -76.55 113.14 15.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 C-N-CA 125.033 1.333 . . . . 0.0 108.544 179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 14.8 t -95.07 -12.24 26.88 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 0.0 112.613 177.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.95 134.11 9.4 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 126.643 1.977 . . . . 0.0 107.61 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.62 5.97 73.99 Favored Glycine 0 CA--C 1.537 1.416 0 N-CA-C 115.142 0.817 . . . . 0.0 115.142 177.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -64.3 -45.9 85.96 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.296 1.839 . . . . 0.0 112.727 171.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -136.18 162.52 32.72 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.66 1.584 . . . . 0.0 112.595 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 22.0 ptm -78.48 164.6 24.6 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.01 1.324 . . . . 0.0 114.391 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -148.78 165.31 31.83 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.979 2.112 . . . . 0.0 112.111 173.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.7 mp -76.9 156.81 31.8 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.314 -0.866 . . . . 0.0 110.342 164.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.1 mt -122.56 -45.46 2.19 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.853 1.261 . . . . 0.0 112.249 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.6 t -158.8 169.3 24.68 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.322 1.049 . . . . 0.0 112.55 176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mp -138.36 98.65 3.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.106 1.763 . . . . 0.0 107.97 164.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -75.01 132.01 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.857 0.863 . . . . 0.0 108.881 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 17.5 ptp -143.02 136.92 28.89 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.21 1.404 . . . . 0.0 110.771 -177.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.09 90.77 0.2 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 126.021 1.728 . . . . 0.0 112.681 -172.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -157.35 125.1 5.36 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.283 2.233 . . . . 0.0 109.777 178.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--O 1.241 0.611 0 C-N-CA 126.288 1.835 . . . . 0.0 111.718 176.379 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 p -69.11 93.05 0.57 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.871 1.668 . . . . 0.0 112.56 177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 54.0 ttm -142.08 140.28 32.5 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.04 1.736 . . . . 0.0 110.331 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -55.26 -47.21 75.79 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.281 1.032 . . . . 0.0 113.753 -171.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.1 -17.29 64.34 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -103.5 -3.05 25.85 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.153 1.381 . . . . 0.0 113.541 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.9 t -58.4 -50.24 74.38 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.208 1.003 . . . . 0.0 110.9 173.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.9 t -55.74 -52.74 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 124.353 1.061 . . . . 0.0 110.864 174.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.9 t -56.36 -59.44 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 125.751 1.62 . . . . 0.0 111.028 -175.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 t -58.97 -41.52 87.75 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.195 1.398 . . . . 0.0 111.726 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.2 t -61.2 -52.49 64.6 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.708 0.803 . . . . 0.0 111.74 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -56.37 20.92 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.953 1.301 . . . . 0.0 110.517 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.72 -48.61 80.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 125.867 1.667 . . . . 0.0 111.711 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.65 92.18 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.95 -46.95 87.76 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.862 0.756 . . . . 0.0 111.443 174.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 45.4 t -52.76 -49.32 65.76 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.383 1.473 . . . . 0.0 112.197 172.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.64 -36.9 79.79 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.945 1.298 . . . . 0.0 113.184 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.42 -46.28 77.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 112.306 176.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -61.5 -41.56 97.48 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.09 0.556 . . . . 0.0 111.932 172.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.71 53.94 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.513 0.725 . . . . 0.0 112.318 -177.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -62.1 -32.29 72.83 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 177.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -73.06 -37.75 66.72 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.982 0.913 . . . . 0.0 111.311 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -81.99 -1.34 47.88 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 125.727 1.611 . . . . 0.0 113.489 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.67 32.63 17.65 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.905 2.082 . . . . 0.0 112.676 -176.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.13 -34.29 59.43 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -171.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 56.33 4.15 0.13 Allowed 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.461 2.304 . . . . 0.0 116.461 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.9 pttm -163.67 170.49 17.02 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 127.655 2.382 . . . . 0.0 111.409 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.2 mm -131.52 151.04 34.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.81 2.044 . . . . 0.0 109.442 -178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -93.24 -60.4 1.8 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.405 0.682 . . . . 0.0 110.077 166.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -154.16 165.35 36.52 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 178.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 m -126.63 118.03 49.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 127.093 2.157 . . . . 0.0 109.779 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.6 t -91.27 127.58 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.279 1.431 . . . . 0.0 109.853 -173.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.7 t -129.17 121.57 54.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.544 1.137 . . . . 0.0 110.974 -173.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.21 119.71 5.53 Favored Glycine 0 CA--C 1.533 1.217 0 C-N-CA 125.618 1.58 . . . . 0.0 112.038 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.0 mt -128.81 129.61 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 125.794 1.637 . . . . 0.0 109.941 -176.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.57 143.72 46.34 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 123.593 0.616 . . . . 0.0 112.831 178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.96 -28.63 49.53 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 120.727 -1.455 . . . . 0.0 113.647 -173.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.8 mmm180 -93.46 1.49 56.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.993 2.117 . . . . 0.0 113.9 170.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -66.7 -21.42 66.09 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -176.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 54.25 22.62 3.76 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 126.835 2.054 . . . . 0.0 115.144 -174.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.8 mmt -58.19 136.17 57.22 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.843 1.257 . . . . 0.0 112.243 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -75.72 61.45 1.39 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.47 1.908 . . . . 0.0 111.94 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -53.96 -33.54 57.21 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 128.133 2.573 . . . . 0.0 114.715 -174.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.9 t -61.87 -44.1 97.5 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.167 1.387 . . . . 0.0 112.112 173.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -66.54 -42.91 86.47 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.628 -0.67 . . . . 0.0 110.094 172.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -58.72 -54.76 43.48 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.681 -173.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -59.72 -42.78 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 173.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -61.32 -32.14 72.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 120.855 0.359 . . . . 0.0 111.891 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.7 -46.44 58.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.231 1.012 . . . . 0.0 111.645 173.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -52.56 -47.9 66.51 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.587 0.755 . . . . 0.0 112.433 171.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -62.12 -43.36 99.0 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.324 1.05 . . . . 0.0 112.549 174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 75.6 m -58.54 -43.47 89.3 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.028 -1.045 . . . . 0.0 111.895 176.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -81.99 -2.39 51.42 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.265 1.426 . . . . 0.0 114.329 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -61.11 -25.97 67.34 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 120.512 1.506 . . . . 0.0 113.735 -174.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -66.54 -22.62 66.16 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.917 1.687 . . . . 0.0 113.378 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -76.31 -16.49 59.76 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.3 m -134.03 115.86 14.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.599 1.56 . . . . 0.0 110.031 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.44 -31.43 71.37 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 113.731 1.012 . . . . 0.0 113.731 -164.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.0 m -72.7 -26.04 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.175 1.79 . . . . 0.0 112.524 176.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.1 -15.69 40.37 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.669 1.588 . . . . 0.0 112.981 -171.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 -32.97 62.61 Favored 'General case' 0 N--CA 1.482 1.161 0 CA-C-N 119.569 1.077 . . . . 0.0 113.462 173.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -87.15 -9.2 55.87 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.974 1.31 . . . . 0.0 114.217 179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.38 162.59 28.33 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -176.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.7 mt -135.36 140.91 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 127.384 2.274 . . . . 0.0 108.365 172.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.91 129.75 34.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.632 0.773 . . . . 0.0 109.598 173.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -118.91 85.2 2.32 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.482 1.513 . . . . 0.0 111.61 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 31.1 mt -73.69 129.69 36.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 111.34 -177.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.5 t -117.62 118.17 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 126.951 2.1 . . . . 0.0 110.059 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -75.47 96.07 3.4 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.624 1.97 . . . . 0.0 112.522 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -81.12 130.79 35.18 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.218 1.407 . . . . 0.0 112.645 176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -60.71 131.7 51.54 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.283 1.033 . . . . 0.0 110.776 166.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -77.93 153.07 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.917 1.287 . . . . 0.0 110.733 169.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -145.53 145.71 31.13 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.763 0.825 . . . . 0.0 113.153 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.23 117.89 30.8 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.684 2.393 . . . . 0.0 110.434 -173.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -98.96 156.39 16.93 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.852 0.861 . . . . 0.0 111.949 169.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.2 t -80.54 160.5 25.16 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 121.81 0.814 . . . . 0.0 112.048 168.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -66.1 -69.95 0.27 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.911 2.085 . . . . 0.0 113.906 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -123.16 59.01 1.09 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.257 1.823 . . . . 0.0 110.659 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.69 -155.24 0.58 Allowed 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.942 2.097 . . . . 0.0 110.608 -165.044 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.3 p -147.9 18.48 1.13 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.696 1.598 . . . . 0.0 113.309 179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -131.26 152.58 50.39 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.249 1.42 . . . . 0.0 113.378 -170.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.4 t -146.0 137.9 19.77 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 127.962 2.505 . . . . 0.0 109.602 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -142.97 177.86 8.07 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.311 1.445 . . . . 0.0 113.199 178.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 143.28 26.4 Favored Pre-proline 0 N--CA 1.481 1.113 0 C-N-CA 125.748 1.619 . . . . 0.0 112.146 177.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.18 113.8 3.8 Favored 'Trans proline' 0 CA--C 1.54 0.814 0 C-N-CA 123.12 2.547 . . . . 0.0 113.253 -167.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -145.26 157.15 44.13 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.678 1.991 . . . . 0.0 109.966 169.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 56.3 -179.5 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 128.54 2.736 . . . . 0.0 116.07 177.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.78 -51.15 0.78 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.679 1.592 . . . . 0.0 112.988 178.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -63.0 -24.07 67.75 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.561 1.144 . . . . 0.0 113.884 -177.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -130.56 24.28 5.1 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.904 2.082 . . . . 0.0 112.804 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -80.09 14.34 21.45 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 125.477 1.513 . . . . 0.0 115.441 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.0 m -69.17 168.66 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.698 1.999 . . . . 0.0 113.403 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -62.11 135.58 57.58 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-O 121.994 0.902 . . . . 0.0 110.858 167.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -60.99 -39.82 91.12 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.251 1.02 . . . . 0.0 112.006 -175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -72.49 -59.35 2.77 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.082 1.353 . . . . 0.0 112.277 173.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -117.75 112.32 20.28 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.307 1.443 . . . . 0.0 111.676 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -74.87 68.38 1.75 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 -163.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 71.6 m -141.58 160.9 39.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.161 2.184 . . . . 0.0 111.361 176.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -91.25 13.73 16.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 126.9 2.08 . . . . 0.0 113.924 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -65.49 -8.01 17.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.253 1.821 . . . . 0.0 115.847 -173.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.1 m -54.84 151.5 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.987 1.715 . . . . 0.0 113.77 -176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.95 154.19 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.676 1.59 . . . . 0.0 112.261 176.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -78.7 109.08 12.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 124.589 1.156 . . . . 0.0 108.41 -176.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.02 -9.33 53.77 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.91 0.884 . . . . 0.0 112.809 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -161.93 126.97 3.42 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.564 1.545 . . . . 0.0 108.785 -167.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.83 12.37 81.45 Favored Glycine 0 CA--C 1.54 1.61 0 C-N-CA 124.468 1.033 . . . . 0.0 115.375 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -57.74 -37.68 74.03 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.5 1.52 . . . . 0.0 112.862 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -145.76 171.57 14.57 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.175 2.19 . . . . 0.0 110.703 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.96 152.46 24.92 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.211 1.004 . . . . 0.0 111.909 -176.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -160.46 165.67 30.59 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.875 1.27 . . . . 0.0 113.273 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 pp -58.95 155.61 13.08 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.36 0.664 . . . . 0.0 111.993 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.3 tp -128.66 -49.01 1.26 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.653 1.181 . . . . 0.0 112.015 -172.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 80.4 p -164.06 179.32 7.02 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.304 1.842 . . . . 0.0 111.418 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 mp -137.07 163.78 29.96 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.589 1.156 . . . . 0.0 110.668 172.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -140.69 146.65 38.1 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.987 1.315 . . . . 0.0 111.784 175.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.71 151.01 51.96 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.129 1.772 . . . . 0.0 111.342 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 16.3 tp -79.86 107.64 12.8 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.35 1.46 . . . . 0.0 109.615 178.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -120.37 -45.77 2.42 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.469 1.508 . . . . 0.0 113.556 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 . . . . . 0 C--O 1.24 0.572 0 C-N-CA 125.317 1.447 . . . . 0.0 111.995 -173.427 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -134.77 17.28 3.56 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.099 1.36 . . . . 0.0 113.689 -175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -140.33 166.72 23.93 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.488 1.515 . . . . 0.0 112.644 178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -107.17 -4.95 18.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.247 1.419 . . . . 0.0 114.181 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -52.55 -59.42 4.47 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.666 1.586 . . . . 0.0 113.393 -169.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -87.27 -7.4 57.89 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -60.97 -50.2 74.34 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 124.097 0.959 . . . . 0.0 111.195 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.0 t -54.96 -51.24 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 123.465 0.706 . . . . 0.0 110.689 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.9 t -60.55 -58.86 5.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 125.052 1.341 . . . . 0.0 111.308 -168.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.1 t -56.7 -41.62 77.71 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.769 1.228 . . . . 0.0 112.213 174.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.7 t -60.61 -48.09 83.34 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.5 0.72 . . . . 0.0 112.287 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.0 mt -57.37 -50.94 71.35 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.347 1.059 . . . . 0.0 112.459 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 83.9 mt -54.68 -49.39 68.3 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 124.426 1.09 . . . . 0.0 110.883 177.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.76 -44.72 95.45 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.827 0.851 . . . . 0.0 113.247 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.27 -45.34 88.05 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.203 1.801 . . . . 0.0 111.648 176.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 91.2 m -58.5 -49.78 76.14 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.281 1.032 . . . . 0.0 111.825 174.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.75 -44.19 90.49 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.875 0.87 . . . . 0.0 112.328 176.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -60.59 -42.52 96.87 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.485 1.114 . . . . 0.0 113.35 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -69.37 -39.01 78.29 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.135 -0.978 . . . . 0.0 112.626 170.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.4 -36.27 82.42 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -175.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -34.38 77.5 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.345 0.975 . . . . 0.0 112.773 170.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.7 tmtt? -76.84 -46.42 24.8 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.346 1.458 . . . . 0.0 110.81 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -77.56 -2.49 35.94 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.194 1.398 . . . . 0.0 113.097 172.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 56.37 27.67 12.35 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.0 2.12 . . . . 0.0 112.777 -177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.73 55.89 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.727 1.611 . . . . 0.0 112.519 -177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.7 m80 54.25 4.65 0.06 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 128.219 2.608 . . . . 0.0 117.402 178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.88 146.01 17.42 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.716 2.006 . . . . 0.0 111.394 169.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.4 mm -101.3 147.41 8.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.235 1.014 . . . . 0.0 109.488 176.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -89.9 -64.28 1.16 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.282 1.033 . . . . 0.0 110.083 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 63.5 mtm180 -143.62 113.07 6.93 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.184 1.394 . . . . 0.0 111.716 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 m -73.47 144.11 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 162.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.5 t -128.5 118.1 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.684 1.194 . . . . 0.0 109.793 -172.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 75.3 t -125.21 145.16 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.986 1.714 . . . . 0.0 110.067 -174.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -117.3 135.37 11.82 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 125.006 1.289 . . . . 0.0 111.233 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -133.11 132.4 58.67 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 125.756 1.622 . . . . 0.0 108.393 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.95 146.8 47.06 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 121.547 0.526 . . . . 0.0 113.712 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -67.26 -17.47 64.81 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.365 1.466 . . . . 0.0 112.86 -176.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -111.75 0.21 16.18 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.388 1.875 . . . . 0.0 113.903 174.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.2 m -70.6 -15.63 62.77 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.405 1.082 . . . . 0.0 113.834 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.29 3.05 0.23 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 128.337 2.655 . . . . 0.0 117.334 173.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.8 mtm -68.99 119.52 13.42 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.818 1.247 . . . . 0.0 111.002 174.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -69.5 93.56 0.69 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.406 1.482 . . . . 0.0 112.71 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -51.54 -36.08 43.51 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 126.829 2.052 . . . . 0.0 114.332 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.5 t -62.64 -39.37 93.65 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.693 1.597 . . . . 0.0 112.982 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.49 -43.43 63.66 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 121.362 -0.836 . . . . 0.0 109.705 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -58.13 -53.7 55.26 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.577 0.751 . . . . 0.0 111.629 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.5 p -58.96 -42.98 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 172.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.7 t -62.12 -31.37 71.83 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.237 0.472 . . . . 0.0 111.816 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -48.03 64.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.043 0.937 . . . . 0.0 111.677 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.76 -45.96 85.2 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.945 0.898 . . . . 0.0 112.225 175.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -58.92 -50.0 75.69 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.733 1.213 . . . . 0.0 111.51 173.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.1 m -54.61 -52.01 63.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.992 0.917 . . . . 0.0 111.587 179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -79.67 9.62 4.88 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -31.29 19.37 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 120.189 1.359 . . . . 0.0 113.128 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -60.62 -20.63 61.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.823 1.649 . . . . 0.0 114.383 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -68.57 -18.0 64.25 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.8 1.24 . . . . 0.0 113.207 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.4 m -151.07 123.29 8.29 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.642 1.177 . . . . 0.0 112.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mp -55.52 -27.9 51.45 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.404 1.082 . . . . 0.0 113.31 -178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.0 m -66.5 -28.82 44.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.487 1.115 . . . . 0.0 113.161 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -85.19 -23.86 28.15 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.099 1.76 . . . . 0.0 113.619 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.12 -11.32 38.8 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 115.533 1.679 . . . . 0.0 115.533 -172.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -118.44 1.37 11.76 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.238 1.815 . . . . 0.0 113.519 173.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -80.66 169.17 17.98 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.138 1.375 . . . . 0.0 113.445 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.0 mm -132.92 157.52 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 127.353 2.261 . . . . 0.0 108.967 169.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 tp -121.39 103.79 9.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.131 1.773 . . . . 0.0 110.717 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -85.77 124.21 32.02 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.806 1.642 . . . . 0.0 111.815 176.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.8 mt -116.91 99.12 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.505 1.122 . . . . 0.0 111.264 -174.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.4 t -69.84 127.77 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 127.011 2.124 . . . . 0.0 111.311 175.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -79.01 100.03 7.13 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.107 1.363 . . . . 0.0 110.811 168.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -83.06 140.5 32.64 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.498 1.119 . . . . 0.0 112.671 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.72 160.02 32.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.592 0.757 . . . . 0.0 111.636 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 84.7 t -101.83 140.27 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.285 1.434 . . . . 0.0 110.209 168.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.24 138.15 39.81 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -179.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 93.4 mt -117.96 97.29 5.74 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 127.129 2.172 . . . . 0.0 112.876 -172.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -77.61 152.77 33.75 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 126.935 2.094 . . . . 0.0 112.338 171.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.3 t -80.27 163.37 24.03 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-O 121.949 0.88 . . . . 0.0 112.601 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -68.4 -67.26 0.48 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.584 1.954 . . . . 0.0 114.057 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.27 60.52 1.22 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.782 1.633 . . . . 0.0 111.056 -169.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.431 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -146.24 -159.78 1.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 126.995 2.118 . . . . 0.0 111.254 -163.141 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -150.52 63.08 0.94 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.482 1.113 . . . . 0.0 110.353 165.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -155.74 154.57 31.65 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.393 1.077 . . . . 0.0 113.239 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 p -151.04 140.56 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 127.263 2.225 . . . . 0.0 111.146 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.4 p90 -133.76 -178.44 5.01 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.832 2.053 . . . . 0.0 111.822 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -110.02 146.0 33.26 Favored Pre-proline 0 N--CA 1.482 1.147 0 C-N-CA 124.703 1.201 . . . . 0.0 112.564 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -65.52 101.23 0.43 Allowed 'Trans proline' 0 CA--C 1.541 0.837 0 C-N-CA 123.791 2.994 . . . . 0.0 112.008 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -142.09 -58.23 0.46 Allowed 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.431 1.492 . . . . 0.0 112.114 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.84 164.13 22.66 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 124.025 0.93 . . . . 0.0 113.17 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -131.42 -63.02 0.85 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.627 1.571 . . . . 0.0 111.997 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -66.88 -25.29 66.32 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.931 0.892 . . . . 0.0 112.861 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -107.82 21.35 17.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.162 2.185 . . . . 0.0 112.289 176.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.25 3.04 11.76 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 126.129 1.823 . . . . 0.0 116.568 -172.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.3 m -65.17 165.51 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.234 1.414 . . . . 0.0 112.773 169.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.04 140.41 58.84 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-O 122.077 0.942 . . . . 0.0 110.858 169.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -62.46 -38.29 89.23 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.785 0.834 . . . . 0.0 111.839 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt -77.29 -56.41 4.58 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 124.368 1.067 . . . . 0.0 112.468 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.7 p -116.66 124.44 49.73 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.225 1.41 . . . . 0.0 112.295 -172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 24.8 m80 -78.54 69.41 4.72 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.356 -1.465 . . . . 0.0 113.545 -168.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 m -145.93 159.27 43.47 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 127.168 2.187 . . . . 0.0 110.824 172.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -99.58 22.53 10.71 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.908 1.683 . . . . 0.0 113.079 -176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -69.79 -3.03 13.77 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.313 2.245 . . . . 0.0 115.792 -173.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 30.4 m -53.95 152.46 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.956 1.703 . . . . 0.0 114.399 -174.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.11 155.76 39.84 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 126.244 1.818 . . . . 0.0 112.012 177.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.09 111.36 9.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.679 1.192 . . . . 0.0 108.448 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.5 t -92.26 -13.03 31.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.851 0.86 . . . . 0.0 112.414 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 -157.57 125.65 5.45 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 127.354 2.262 . . . . 0.0 107.567 -170.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.93 13.78 38.84 Favored Glycine 0 CA--C 1.537 1.417 0 N-CA-C 115.71 1.044 . . . . 0.0 115.71 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -58.47 -48.9 79.25 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.83 1.315 . . . . 0.0 112.333 175.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -153.38 167.56 29.0 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.66 1.584 . . . . 0.0 112.52 -172.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 8.5 ttt -66.91 147.77 52.8 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.221 1.408 . . . . 0.0 112.402 172.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.8 mtp-105 -141.9 152.72 43.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 125.424 1.49 . . . . 0.0 112.503 172.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.9 tt -77.14 115.77 17.21 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.601 1.561 . . . . 0.0 108.781 168.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -72.01 -64.5 0.93 Allowed 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.952 0.796 . . . . 0.0 111.199 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.3 p -159.27 171.26 20.17 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.639 1.576 . . . . 0.0 113.113 -169.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.4 mt -130.02 115.39 17.05 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.613 1.565 . . . . 0.0 109.629 170.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -78.66 107.47 11.36 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.785 0.834 . . . . 0.0 108.841 167.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.48 150.78 41.36 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.915 0.886 . . . . 0.0 111.435 173.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.6 mt -80.24 75.69 7.04 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.737 0.815 . . . . 0.0 110.574 173.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.77 -64.99 1.05 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.125 1.37 . . . . 0.0 112.536 -178.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.473 0.686 0 C-N-CA 124.886 1.275 . . . . 0.0 112.384 -179.076 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.661 0 N-CA-C 111.684 -0.567 . . . . 0.0 111.684 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 m -125.28 88.67 2.92 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.693 1.597 . . . . 0.0 110.777 -174.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.03 94.87 0.36 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.504 1.522 . . . . 0.0 111.654 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -135.05 -36.71 0.81 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.36 1.464 . . . . 0.0 113.36 178.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.26 -29.15 65.57 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.683 1.193 . . . . 0.0 113.656 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -71.82 -5.88 37.54 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.185 1.394 . . . . 0.0 114.172 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.6 t -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.502 1.121 . . . . 0.0 111.817 174.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.8 t -57.57 -50.66 76.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 123.378 0.671 . . . . 0.0 110.556 174.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.8 t -59.43 -58.23 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 125.683 1.593 . . . . 0.0 111.554 -170.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.9 t -57.31 -42.84 82.58 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.289 1.436 . . . . 0.0 111.97 175.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -62.18 -48.39 80.26 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.33 0.652 . . . . 0.0 112.163 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.06 -54.36 36.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.082 1.753 . . . . 0.0 110.525 176.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.96 -49.95 79.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 125.319 1.448 . . . . 0.0 111.72 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.61 -47.42 85.67 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.33 -47.52 81.86 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.631 0.772 . . . . 0.0 111.506 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 33.6 t -54.3 -48.66 71.03 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.615 1.166 . . . . 0.0 112.162 175.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -53.86 -59.5 4.54 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.321 1.448 . . . . 0.0 111.911 171.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.37 75.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.926 1.29 . . . . 0.0 113.22 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -60.36 -42.85 96.65 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.459 -0.775 . . . . 0.0 112.187 174.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.94 -48.75 72.99 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.631 -0.668 . . . . 0.0 112.475 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.9 ptmm? -66.65 -26.04 66.87 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.507 1.049 . . . . 0.0 113.672 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -71.07 -42.88 68.81 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.314 1.046 . . . . 0.0 110.748 173.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -79.49 -3.83 48.5 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.184 1.794 . . . . 0.0 113.189 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 61.74 23.91 14.13 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 126.725 2.01 . . . . 0.0 112.7 -176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.84 -43.87 29.05 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.041 1.336 . . . . 0.0 112.747 -175.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 56.73 5.93 0.26 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.737 2.415 . . . . 0.0 116.751 -178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.13 170.23 21.66 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 128.52 2.728 . . . . 0.0 110.612 172.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 41.0 mm -129.35 153.98 39.48 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 125.447 1.499 . . . . 0.0 110.459 -166.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.04 -67.08 0.85 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.093 0.957 . . . . 0.0 108.475 162.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.9 mtm180 -145.04 169.8 17.41 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.726 1.61 . . . . 0.0 113.938 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.2 t -132.28 126.11 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 C-N-CA 127.711 2.404 . . . . 0.0 108.7 168.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.12 127.88 52.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 125.208 1.403 . . . . 0.0 109.986 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.9 t -131.43 122.7 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.348 1.059 . . . . 0.0 111.617 -176.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.11 137.11 13.69 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 125.678 1.609 . . . . 0.0 113.211 -176.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 mt -135.0 131.54 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 126.984 2.113 . . . . 0.0 108.731 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.49 128.91 46.45 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 123.73 0.681 . . . . 0.0 113.067 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -68.94 -18.91 64.16 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.305 -1.115 . . . . 0.0 113.8 -169.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -103.56 -4.75 23.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.101 1.361 . . . . 0.0 113.928 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.2 m -78.84 -14.27 59.34 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.919 1.288 . . . . 0.0 113.269 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.03 16.86 2.36 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.887 2.475 . . . . 0.0 116.934 167.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 78.8 mtm -66.36 136.0 55.15 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.181 0.993 . . . . 0.0 111.614 178.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -72.8 86.88 1.26 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.274 1.43 . . . . 0.0 112.427 -175.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -26.59 45.6 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -57.99 -38.89 76.93 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.007 1.323 . . . . 0.0 112.062 172.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.06 -43.95 81.39 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.654 -0.654 . . . . 0.0 110.0 172.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -59.9 -53.27 59.81 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -170.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.59 -41.79 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 N-CA-C 112.265 0.468 . . . . 0.0 112.265 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.6 t -62.68 -32.89 74.05 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.02 68.36 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.992 0.917 . . . . 0.0 111.42 173.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.11 -54.47 30.09 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.838 0.855 . . . . 0.0 111.512 170.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -71.95 -18.59 62.0 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.7 m -67.83 -56.86 7.56 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.175 -0.953 . . . . 0.0 110.981 166.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -77.01 -9.65 58.84 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -50.82 -30.77 15.15 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.288 1.435 . . . . 0.0 114.268 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.75 -30.84 15.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.909 2.084 . . . . 0.0 114.122 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -62.44 -16.72 56.79 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.34 1.456 . . . . 0.0 114.388 176.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.3 t -138.03 125.49 21.97 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.54 1.536 . . . . 0.0 113.022 -177.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.77 -34.46 71.46 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.482 1.113 . . . . 0.0 112.668 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -32.64 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.262 0.625 . . . . 0.0 111.479 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 38.5 m -76.26 -23.6 54.47 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 125.531 1.533 . . . . 0.0 112.72 -178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 mtpp -68.17 -14.16 62.77 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.913 1.285 . . . . 0.0 113.696 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -129.28 76.55 1.73 Allowed 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.65 1.98 . . . . 0.0 109.571 170.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.92 166.29 33.43 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 126.753 2.021 . . . . 0.0 111.904 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.6 mt -134.84 151.39 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 C-N-CA 126.114 1.766 . . . . 0.0 109.107 169.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 tt -118.5 110.68 17.69 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.879 1.272 . . . . 0.0 110.359 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -93.86 108.41 20.19 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.263 1.825 . . . . 0.0 111.218 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 14.0 mm -68.8 140.13 19.43 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.448 1.099 . . . . 0.0 110.381 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.5 t -128.59 123.94 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 126.052 1.741 . . . . 0.0 110.185 174.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -76.81 96.73 4.34 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.649 0.78 . . . . 0.0 110.508 171.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -67.49 144.41 55.7 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.197 0.999 . . . . 0.0 110.75 169.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.95 164.03 7.03 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.573 -0.705 . . . . 0.0 111.484 166.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.5 m -119.13 160.58 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.964 0.906 . . . . 0.0 111.179 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -157.21 144.22 18.47 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.503 0.721 . . . . 0.0 110.959 174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.543 HD13 ' HD3' ' A' ' 85' ' ' PRO . 10.2 mp -123.83 124.6 43.02 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 125.914 1.685 . . . . 0.0 111.119 -175.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -96.81 156.11 16.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.962 0.905 . . . . 0.0 111.928 171.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.458 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.7 t -84.2 155.06 22.71 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.879 0.872 . . . . 0.0 111.597 168.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.82 -70.23 0.24 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 127.02 2.128 . . . . 0.0 113.821 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -115.07 59.86 0.7 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.101 1.76 . . . . 0.0 111.66 -170.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.458 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.89 -153.27 0.46 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.162 2.585 . . . . 0.0 109.627 -168.126 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 t -147.42 14.24 1.1 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 168.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 80.5 t60 -127.6 158.94 36.16 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.729 1.212 . . . . 0.0 113.694 -168.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 t -146.79 133.22 13.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.723 0 C-N-CA 127.703 2.401 . . . . 0.0 109.982 -168.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -150.19 -177.78 6.13 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 125.057 1.343 . . . . 0.0 114.127 -178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.01 142.26 24.29 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.835 1.654 . . . . 0.0 113.011 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.543 ' HD3' HD13 ' A' ' 74' ' ' LEU . 54.9 Cg_endo -72.98 109.71 2.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.394 3.396 . . . . 0.0 112.714 -175.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -142.87 157.81 44.23 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 126.858 2.063 . . . . 0.0 109.64 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . 56.5 176.97 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 128.431 2.692 . . . . 0.0 115.196 -175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.04 -51.06 0.83 Allowed 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.275 1.43 . . . . 0.0 113.063 179.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -65.07 -21.99 66.9 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.252 -0.905 . . . . 0.0 113.17 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -112.15 17.57 19.43 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 127.427 2.291 . . . . 0.0 112.197 174.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.44 -2.87 51.6 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 125.988 1.756 . . . . 0.0 116.391 -170.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.5 m -58.79 167.05 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 118.657 1.229 . . . . 0.0 112.658 167.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 45.4 t -57.32 161.34 3.38 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.358 1.463 . . . . 0.0 111.975 171.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -79.43 -46.16 18.06 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.581 1.553 . . . . 0.0 111.448 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -79.28 -75.41 0.24 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.184 0.994 . . . . 0.0 111.766 176.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 9.2 p -71.35 176.07 4.91 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.097 1.359 . . . . 0.0 111.657 171.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -123.09 44.23 2.73 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.602 -1.311 . . . . 0.0 113.716 -169.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.9 m -131.53 155.67 47.05 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.695 1.198 . . . . 0.0 111.964 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -92.13 15.64 13.05 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 127.214 2.206 . . . . 0.0 113.711 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.05 -0.11 5.32 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.692 1.997 . . . . 0.0 115.788 -176.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 23.0 m -57.47 149.02 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.598 1.159 . . . . 0.0 112.842 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.36 152.05 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.516 1.527 . . . . 0.0 111.846 178.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.409 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.3 mp -73.57 115.06 14.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 C-N-CA 125.538 1.535 . . . . 0.0 108.227 -179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -101.16 -6.31 24.46 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.458 1.103 . . . . 0.0 112.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.7 tp60 -154.45 121.83 5.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.598 1.959 . . . . 0.0 108.836 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 95.77 2.94 61.06 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 124.851 1.215 . . . . 0.0 115.511 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -57.3 -33.32 67.56 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.411 1.485 . . . . 0.0 114.276 -175.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -137.35 154.13 50.09 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.563 1.545 . . . . 0.0 110.768 172.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.8 ptm -76.63 147.43 37.57 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.331 0.652 . . . . 0.0 111.987 170.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -150.18 153.15 35.79 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.654 1.582 . . . . 0.0 111.903 176.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -61.3 153.71 25.77 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.888 -0.507 . . . . 0.0 112.198 167.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.0 mt -118.51 -51.99 2.38 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.075 1.35 . . . . 0.0 111.916 -176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.3 t -160.79 173.65 15.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.363 1.065 . . . . 0.0 112.19 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.64 160.33 23.5 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.544 1.538 . . . . 0.0 109.561 166.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -126.98 143.69 51.22 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.924 1.69 . . . . 0.0 110.108 169.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.7 mtt -134.59 157.95 45.27 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.784 1.634 . . . . 0.0 110.8 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.2 mt -131.3 96.89 4.12 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.188 1.395 . . . . 0.0 111.395 -178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -122.36 -11.58 8.33 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.824 1.65 . . . . 0.0 113.983 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 125.389 1.476 . . . . 0.0 112.576 179.59 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -75.76 74.9 2.72 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.734 1.213 . . . . 0.0 112.187 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.4 mtp -76.42 136.22 39.45 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.131 1.372 . . . . 0.0 111.263 175.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -62.7 -27.18 69.08 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.441 0.696 . . . . 0.0 112.621 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -56.12 -44.49 79.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.014 1.325 . . . . 0.0 112.335 175.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -86.04 0.61 52.96 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.821 1.248 . . . . 0.0 114.08 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.0 t -58.1 -55.02 40.34 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.033 0.933 . . . . 0.0 111.178 176.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.4 t -54.23 -49.17 64.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.659 0.783 . . . . 0.0 111.06 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.4 t -55.11 -61.79 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 125.372 1.469 . . . . 0.0 111.38 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.7 t -59.9 -44.25 94.37 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.056 1.342 . . . . 0.0 111.619 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.3 m -60.94 -48.59 81.11 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.352 0.661 . . . . 0.0 112.248 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.4 mt -59.57 -52.85 63.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.052 0.842 . . . . 0.0 112.373 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.4 mt -51.29 -48.27 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 124.196 0.999 . . . . 0.0 111.127 177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.94 88.1 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.94 -43.78 97.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.183 1.393 . . . . 0.0 111.788 179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 99.7 m -60.51 -48.33 82.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.427 1.491 . . . . 0.0 112.361 173.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -56.26 -48.59 76.27 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.146 0.978 . . . . 0.0 111.238 175.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.39 -47.78 78.24 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.976 1.31 . . . . 0.0 112.409 176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -61.87 -40.8 96.63 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 121.126 -0.984 . . . . 0.0 112.408 173.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -44.4 92.2 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.325 0.966 . . . . 0.0 112.317 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -19.38 61.72 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 114.414 1.265 . . . . 0.0 114.414 174.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.6 tptt -81.59 -42.68 19.73 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.695 1.198 . . . . 0.0 111.023 174.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -81.0 -5.54 57.7 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.138 1.775 . . . . 0.0 113.028 177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 63.46 21.68 12.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.904 2.082 . . . . 0.0 112.886 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.88 69.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.725 1.21 . . . . 0.0 112.376 -173.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.4 m80 55.01 18.06 2.11 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.716 2.006 . . . . 0.0 114.699 -175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -165.56 174.71 9.6 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 129.367 3.067 . . . . 0.0 110.115 174.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.1 mt -114.47 177.35 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.952 0 C-N-CA 126.299 1.84 . . . . 0.0 107.985 170.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -118.27 -62.53 1.53 Allowed 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.283 -1.511 . . . . 0.0 110.011 160.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -153.82 107.41 2.97 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.975 0.91 . . . . 0.0 112.341 -168.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.9 m -78.6 147.68 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.927 0.891 . . . . 0.0 110.86 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.6 t -128.73 114.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.242 1.417 . . . . 0.0 109.653 -171.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.3 t -131.19 117.05 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.06 1.344 . . . . 0.0 111.38 -171.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.34 134.84 13.95 Favored Glycine 0 CA--C 1.526 0.778 0 C-N-CA 125.043 1.306 . . . . 0.0 112.528 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.4 mt -130.13 131.14 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.371 1.869 . . . . 0.0 108.314 174.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.3 143.74 48.62 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.864 0.745 . . . . 0.0 113.925 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -69.01 -16.73 63.79 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.591 1.157 . . . . 0.0 112.877 -173.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 48.9 mmm-85 -113.69 3.23 15.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 126.422 1.889 . . . . 0.0 113.944 174.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.4 m -68.55 -23.95 64.57 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.944 0.898 . . . . 0.0 112.985 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.27 9.97 0.4 Allowed 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 128.121 2.568 . . . . 0.0 116.727 173.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 24.0 ptp -70.72 154.87 41.43 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.139 -0.975 . . . . 0.0 112.94 -178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.99 85.78 4.9 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.98 1.312 . . . . 0.0 111.514 178.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -54.14 -28.24 38.75 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.255 1.822 . . . . 0.0 114.63 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.4 t -55.76 -42.47 75.5 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.679 1.592 . . . . 0.0 112.28 172.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.67 -38.76 84.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.312 0.505 . . . . 0.0 110.69 176.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -61.04 -50.37 73.6 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 110.968 -174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.64 -41.35 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.9 p -66.87 -31.65 72.39 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.078 0.399 . . . . 0.0 111.911 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.04 -49.79 64.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 124.507 1.123 . . . . 0.0 111.123 171.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -51.34 -55.28 19.26 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.756 0.823 . . . . 0.0 111.567 172.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.42 -42.47 78.1 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.527 1.531 . . . . 0.0 113.338 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.4 m -63.3 -44.24 95.56 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.51 0.724 . . . . 0.0 112.053 175.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -83.57 -25.48 30.9 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -63.1 -14.98 54.94 Favored 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 -173.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -63.54 -9.74 14.67 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.543 1.537 . . . . 0.0 114.525 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -62.79 -18.62 63.01 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.517 1.527 . . . . 0.0 113.82 172.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.7 t -137.52 174.0 11.06 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.917 1.687 . . . . 0.0 111.396 173.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -88.27 -46.34 9.3 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.25 1.42 . . . . 0.0 111.549 173.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -62.97 -28.45 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 125.191 1.396 . . . . 0.0 112.044 -174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.2 m -74.72 -21.32 59.43 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 127.55 2.34 . . . . 0.0 113.418 -175.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -81.9 -36.12 28.45 Favored 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -77.52 74.94 4.08 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.674 1.19 . . . . 0.0 110.198 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.24 158.05 43.86 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.864 1.265 . . . . 0.0 112.538 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.3 mt -131.7 148.4 32.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 127.528 2.331 . . . . 0.0 107.719 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -116.61 105.24 12.22 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.967 1.307 . . . . 0.0 111.326 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -80.82 105.9 12.41 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.451 1.1 . . . . 0.0 111.595 173.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -73.29 105.59 2.8 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 C-N-CA 123.973 0.909 . . . . 0.0 109.341 164.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.0 t -89.34 130.58 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.245 1.418 . . . . 0.0 110.304 176.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.68 94.06 2.16 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.745 1.218 . . . . 0.0 111.45 173.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -76.45 123.94 26.79 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.581 1.153 . . . . 0.0 110.911 176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.85 160.02 12.8 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.224 -0.923 . . . . 0.0 111.991 170.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.0 m -117.79 159.36 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 C-N-CA 124.025 0.93 . . . . 0.0 112.344 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -151.46 140.23 20.84 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 92.5 mt -112.53 98.02 6.98 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 127.567 2.347 . . . . 0.0 111.591 -179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -80.82 150.09 29.3 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.861 1.665 . . . . 0.0 111.857 167.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 3.6 t -90.1 154.24 19.93 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.176 1.39 . . . . 0.0 112.872 174.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -62.34 -63.29 1.28 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.247 1.819 . . . . 0.0 114.493 -179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -128.76 60.1 1.53 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 125.698 1.599 . . . . 0.0 111.023 -170.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.424 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.2 OUTLIER -141.62 -156.83 0.71 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.889 2.076 . . . . 0.0 111.39 -165.369 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 t -151.01 33.33 0.59 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.887 1.275 . . . . 0.0 112.319 174.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -147.02 150.77 35.76 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.982 1.313 . . . . 0.0 112.486 -171.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.58 151.68 24.46 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 126.176 1.79 . . . . 0.0 110.848 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -141.75 -175.29 4.33 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.772 1.629 . . . . 0.0 112.03 177.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -113.89 145.69 34.03 Favored Pre-proline 0 N--CA 1.48 1.034 0 C-N-CA 124.791 1.236 . . . . 0.0 112.508 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.55 110.43 1.85 Allowed 'Trans proline' 0 CA--C 1.538 0.722 0 C-N-CA 124.096 3.198 . . . . 0.0 112.497 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -136.03 -58.48 0.76 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.476 1.51 . . . . 0.0 111.633 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.75 167.62 15.01 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.214 1.006 . . . . 0.0 113.025 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.19 -67.6 0.7 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.446 1.498 . . . . 0.0 111.693 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.46 -28.41 69.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.567 1.147 . . . . 0.0 113.143 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -117.43 26.78 9.5 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.443 2.297 . . . . 0.0 112.21 177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.44 23.8 1.2 Allowed Glycine 0 CA--C 1.54 1.596 0 C-N-CA 127.101 2.286 . . . . 0.0 115.497 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.7 m -64.84 162.74 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 126.092 1.757 . . . . 0.0 112.051 168.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.1 t -66.55 148.54 51.75 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.248 1.019 . . . . 0.0 111.428 172.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.44 -44.81 81.79 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.702 0.801 . . . . 0.0 111.967 -175.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -74.25 -56.42 4.91 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.669 1.188 . . . . 0.0 112.175 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.0 p -111.64 123.88 51.14 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.524 1.53 . . . . 0.0 111.527 -173.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -79.59 60.49 3.31 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 120.24 -1.537 . . . . 0.0 113.609 -168.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.3 m -138.48 155.95 47.97 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.043 2.137 . . . . 0.0 110.793 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -100.44 16.4 24.68 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 125.967 1.707 . . . . 0.0 113.279 -173.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -68.52 -1.07 5.86 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 127.823 2.449 . . . . 0.0 115.984 -172.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.0 m -56.11 154.35 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.464 1.506 . . . . 0.0 113.978 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.7 155.23 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 126.219 1.808 . . . . 0.0 111.854 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.6 mm -77.51 107.73 9.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.143 0.977 . . . . 0.0 108.593 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.6 t -90.41 -10.04 45.33 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 121.445 -0.784 . . . . 0.0 112.279 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.1 tp60 -159.15 126.03 4.67 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.551 1.941 . . . . 0.0 108.414 -173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.05 22.45 59.26 Favored Glycine 0 CA--C 1.536 1.381 0 N-CA-C 114.832 0.693 . . . . 0.0 114.832 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -33.58 72.72 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.307 1.043 . . . . 0.0 112.265 175.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -149.51 165.56 31.8 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.877 1.671 . . . . 0.0 111.748 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.1 ptm -69.43 144.99 53.15 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.18 0.592 . . . . 0.0 112.27 172.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -150.95 144.61 25.05 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 125.953 1.701 . . . . 0.0 111.516 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -61.25 149.68 37.01 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 121.677 -0.639 . . . . 0.0 112.723 167.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -105.2 -60.0 1.68 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.417 1.487 . . . . 0.0 110.319 170.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 60.4 p -155.8 165.86 35.24 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.459 1.504 . . . . 0.0 112.776 -169.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.7 mt -132.96 108.32 8.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.934 1.693 . . . . 0.0 109.313 176.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -77.15 143.36 39.17 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.401 -0.812 . . . . 0.0 110.432 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 62.2 mtt -131.59 140.19 49.36 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.717 1.607 . . . . 0.0 112.442 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.51 116.7 9.36 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.742 1.617 . . . . 0.0 111.36 175.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -135.6 -59.14 0.77 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.413 1.485 . . . . 0.0 112.377 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.782 0 C-N-CA 124.562 1.145 . . . . 0.0 111.996 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 t -65.96 -52.79 46.49 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.149 0.979 . . . . 0.0 113.173 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 37.0 mtt -89.09 141.14 28.76 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.225 1.01 . . . . 0.0 111.663 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -63.17 -34.65 78.09 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.723 0.809 . . . . 0.0 113.101 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.47 -26.48 68.55 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -84.71 -2.5 57.66 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.966 1.098 . . . . 0.0 113.966 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.0 t -56.71 -50.11 73.14 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.225 1.01 . . . . 0.0 111.842 175.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.16 -49.05 78.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 123.577 0.751 . . . . 0.0 110.892 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.1 t -62.49 -56.46 17.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 124.229 1.011 . . . . 0.0 111.015 -173.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.0 t -57.88 -38.19 75.33 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.343 1.057 . . . . 0.0 112.003 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.5 t -62.6 -43.59 98.43 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.736 0.814 . . . . 0.0 111.863 174.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 HG21 ' A' ' 31' ' ' VAL . 4.6 tt -56.39 -50.15 72.41 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.676 1.19 . . . . 0.0 111.106 174.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 16.6 mm -55.5 -49.41 73.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 119.227 0.922 . . . . 0.0 111.1 177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.77 -44.67 90.7 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.34 1.056 . . . . 0.0 113.018 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 54.6 mt -63.18 -50.89 68.56 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.048 1.339 . . . . 0.0 111.914 176.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.8 m -55.83 -46.16 78.21 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.294 0.952 . . . . 0.0 112.502 175.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.0 -56.92 13.43 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.545 1.138 . . . . 0.0 111.964 172.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.88 -48.28 82.52 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.129 0.972 . . . . 0.0 113.172 -178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -62.06 -38.43 88.75 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.149 -0.969 . . . . 0.0 112.18 179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.16 -49.41 72.21 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 118.82 0.736 . . . . 0.0 112.037 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -65.2 -31.84 73.21 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.444 1.02 . . . . 0.0 113.119 175.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.6 tpmt? -71.47 -40.24 70.4 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.399 1.079 . . . . 0.0 111.235 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -79.3 -5.07 53.62 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.205 1.402 . . . . 0.0 113.32 172.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.86 31.51 19.76 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.818 2.047 . . . . 0.0 112.372 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.3 -33.12 29.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.497 1.519 . . . . 0.0 113.214 -175.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 52.75 16.31 0.66 Allowed 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 126.887 2.075 . . . . 0.0 115.365 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -158.68 163.54 36.76 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.825 1.65 . . . . 0.0 111.498 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.4 mm -131.71 133.84 60.97 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.65 1.98 . . . . 0.0 107.857 168.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -82.66 -55.63 4.33 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.085 0.954 . . . . 0.0 109.026 168.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 -148.31 160.37 43.05 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG21 HD21 ' A' ' 12' ' ' LEU . 2.2 p -129.92 113.53 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 127.911 2.484 . . . . 0.0 110.402 173.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.6 t -89.47 125.14 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 125.771 1.629 . . . . 0.0 110.123 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.19 122.0 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 124.855 1.262 . . . . 0.0 111.05 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -87.2 122.49 6.2 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 125.808 1.67 . . . . 0.0 111.72 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.4 mt -125.8 122.21 61.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.204 1.402 . . . . 0.0 109.142 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.66 136.23 49.12 Favored Glycine 0 CA--C 1.533 1.216 0 C-N-CA 124.318 0.961 . . . . 0.0 112.738 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -68.37 -12.61 61.38 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 121.443 -1.034 . . . . 0.0 113.319 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -110.9 0.89 17.3 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.572 1.949 . . . . 0.0 114.21 173.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 m -70.96 -9.01 57.14 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.54 19.74 4.4 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 127.05 2.14 . . . . 0.0 115.459 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.4 mmt -67.79 136.39 54.11 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.789 1.236 . . . . 0.0 111.445 177.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 -74.89 86.87 2.27 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.42 0.688 . . . . 0.0 109.672 163.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -58.67 -31.91 68.62 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.656 -1.277 . . . . 0.0 113.899 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.1 t -60.85 -44.94 96.3 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.631 1.572 . . . . 0.0 111.952 170.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -59.77 -49.06 79.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.901 0.88 . . . . 0.0 110.171 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.66 -51.33 67.6 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.75 -39.67 86.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.9 t -64.3 -30.3 71.35 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.03 -47.63 61.26 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.947 1.299 . . . . 0.0 110.805 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -52.13 -49.44 63.7 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.68 -0.637 . . . . 0.0 112.461 169.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.6 -24.77 67.75 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.22 1.808 . . . . 0.0 113.71 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.0 m -75.05 -63.47 1.26 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.305 1.042 . . . . 0.0 111.174 170.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -77.35 -4.86 47.28 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 115.774 1.768 . . . . 0.0 115.774 -167.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -21.59 13.52 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.414 1.486 . . . . 0.0 114.864 177.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -61.32 -22.28 64.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.938 1.695 . . . . 0.0 114.237 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -62.62 -15.3 51.0 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.421 1.089 . . . . 0.0 113.347 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -131.04 -174.83 3.49 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.536 1.934 . . . . 0.0 111.01 172.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.7 tp -110.92 -41.86 4.14 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.631 1.572 . . . . 0.0 111.822 169.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -60.9 -23.44 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.818 1.247 . . . . 0.0 112.714 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 57.1 m -78.31 -28.67 47.47 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.221 1.409 . . . . 0.0 113.295 178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -71.53 -11.68 60.99 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.755 2.131 . . . . 0.0 116.755 -162.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -124.77 7.48 8.13 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.754 1.622 . . . . 0.0 113.674 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -74.24 170.03 16.39 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.483 1.513 . . . . 0.0 113.313 176.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.4 mt -128.17 152.81 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 125.936 1.694 . . . . 0.0 109.885 175.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 tt -112.79 111.09 21.62 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.915 1.286 . . . . 0.0 110.693 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -86.11 96.95 10.05 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.434 1.094 . . . . 0.0 111.579 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 34.9 mt -74.17 107.79 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.213 1.005 . . . . 0.0 109.933 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.0 t -93.96 117.91 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.499 1.52 . . . . 0.0 109.953 173.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -73.46 97.49 2.57 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.016 1.326 . . . . 0.0 110.816 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -77.96 116.08 18.18 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.287 -0.883 . . . . 0.0 111.423 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.66 140.21 58.85 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 123.419 0.688 . . . . 0.0 110.939 174.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 p -90.03 161.04 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 124.773 1.229 . . . . 0.0 111.628 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -152.08 140.67 20.75 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.676 0.79 . . . . 0.0 112.234 172.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.44 112.69 24.61 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 127.106 2.162 . . . . 0.0 111.611 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -91.93 154.18 19.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.232 0.613 . . . . 0.0 111.759 169.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.9 t -79.18 157.58 27.85 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.796 0.808 . . . . 0.0 111.826 166.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.6 mmmm -60.55 -65.13 0.74 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.934 2.094 . . . . 0.0 114.65 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -131.24 58.12 1.73 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.558 1.543 . . . . 0.0 110.808 -169.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -141.02 -156.06 0.64 Allowed 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.555 1.942 . . . . 0.0 111.383 -162.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.5 t -139.6 4.11 2.13 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.854 1.427 . . . . 0.0 114.854 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -122.05 159.02 27.92 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.972 1.309 . . . . 0.0 114.228 -172.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -145.23 133.34 16.62 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 128.282 2.633 . . . . 0.0 109.594 -176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -138.26 -175.82 4.24 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.032 1.733 . . . . 0.0 112.616 178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -113.94 145.72 34.13 Favored Pre-proline 0 N--CA 1.482 1.139 0 C-N-CA 125.226 1.41 . . . . 0.0 113.455 178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -69.09 104.85 1.28 Allowed 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 124.208 3.272 . . . . 0.0 112.324 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -130.52 -60.3 1.0 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.992 1.717 . . . . 0.0 111.074 176.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.41 168.17 18.03 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.207 1.003 . . . . 0.0 112.851 170.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.74 -67.66 0.67 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.575 1.55 . . . . 0.0 111.697 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -62.75 -29.67 70.86 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.505 1.122 . . . . 0.0 113.28 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.6 p90 -117.13 24.73 10.98 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 127.664 2.386 . . . . 0.0 112.169 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -77.51 28.38 1.78 Allowed Glycine 0 CA--C 1.537 1.431 0 C-N-CA 127.173 2.321 . . . . 0.0 114.517 178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.05 161.32 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 126.76 2.024 . . . . 0.0 112.438 174.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -66.24 146.15 54.95 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 122.538 1.161 . . . . 0.0 111.697 171.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -67.01 -42.44 84.95 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.757 0.823 . . . . 0.0 111.773 -178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -76.12 -43.81 41.43 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.711 0.804 . . . . 0.0 111.762 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.0 p -129.17 121.56 27.97 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.229 1.412 . . . . 0.0 112.211 -175.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -78.62 60.95 2.83 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 120.43 -1.419 . . . . 0.0 114.134 -165.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.8 m -139.23 151.44 46.53 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.748 2.019 . . . . 0.0 111.15 176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -86.67 18.82 3.17 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.5 1.92 . . . . 0.0 114.31 -177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.54 -2.6 6.83 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.447 1.899 . . . . 0.0 115.951 -173.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 27.1 m -56.8 154.4 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 125.865 1.666 . . . . 0.0 114.357 -176.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.59 155.85 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.763 1.625 . . . . 0.0 112.55 176.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mt -78.17 107.59 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.842 1.257 . . . . 0.0 109.518 -176.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.0 t -88.46 -10.83 47.77 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.128 0.971 . . . . 0.0 112.692 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -160.71 131.92 5.61 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 126.507 1.923 . . . . 0.0 107.616 -171.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.76 16.04 76.24 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 123.4 0.524 . . . . 0.0 114.084 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -66.51 -42.38 87.42 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.725 1.61 . . . . 0.0 111.973 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.35 161.54 37.46 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.382 1.873 . . . . 0.0 111.441 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.6 ptm -78.93 153.3 30.54 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.904 0.881 . . . . 0.0 112.516 169.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -149.11 153.82 38.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 126.205 1.802 . . . . 0.0 111.926 174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.84 148.84 45.88 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.649 -0.657 . . . . 0.0 110.022 161.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -115.12 -58.93 2.08 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.45 1.1 . . . . 0.0 112.029 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.0 t -160.66 175.66 12.41 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.042 1.337 . . . . 0.0 111.376 178.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 14.6 mt -121.51 167.3 13.0 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 170.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -128.89 135.55 49.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.41 1.884 . . . . 0.0 108.736 167.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.2 mtt -123.24 138.48 54.62 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 125.996 1.718 . . . . 0.0 109.667 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.7 mt -66.21 167.16 10.67 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 123.55 0.74 . . . . 0.0 112.428 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 61.7 -10.27 0.07 Allowed 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.432 2.693 . . . . 0.0 116.986 -177.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 126.37 1.868 . . . . 0.0 113.639 -176.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -135.31 18.61 3.39 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.318 1.447 . . . . 0.0 113.599 -175.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 78.8 mtm -61.29 118.66 7.18 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.033 1.333 . . . . 0.0 112.356 -177.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -53.82 -32.34 52.47 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.114 1.365 . . . . 0.0 113.775 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -55.2 -33.9 63.44 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 126.402 1.881 . . . . 0.0 113.439 177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -116.58 -12.31 10.96 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.981 1.312 . . . . 0.0 113.961 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 24.4 t -55.68 -48.33 75.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.909 0.884 . . . . 0.0 110.935 167.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -43.4 90.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 123.865 0.866 . . . . 0.0 113.122 178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.35 -58.13 8.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.662 1.985 . . . . 0.0 110.829 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -56.83 -41.44 77.84 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.427 1.091 . . . . 0.0 111.858 177.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -60.75 -49.78 76.13 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.513 1.125 . . . . 0.0 112.128 178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.7 tt -56.16 -49.57 73.62 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.184 0.994 . . . . 0.0 111.479 175.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.74 -47.03 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 124.409 1.083 . . . . 0.0 111.136 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.98 -48.44 80.0 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.705 1.202 . . . . 0.0 112.617 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.3 mt -58.13 -50.88 71.97 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.718 1.207 . . . . 0.0 111.567 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 98.8 m -55.02 -47.5 74.63 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.66 0.784 . . . . 0.0 112.401 176.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -57.48 -52.62 64.65 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.093 0.957 . . . . 0.0 111.923 174.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.31 -47.34 85.75 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.31 1.044 . . . . 0.0 112.842 -179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.0 m-70 -62.1 -42.0 98.77 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.497 -0.752 . . . . 0.0 111.88 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.35 -44.62 82.74 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.644 -0.66 . . . . 0.0 112.692 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.86 -32.59 74.2 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.854 1.206 . . . . 0.0 112.811 174.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -74.68 -38.14 62.49 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.973 0.909 . . . . 0.0 111.334 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -80.82 -1.61 43.82 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.45 1.5 . . . . 0.0 113.123 170.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 56.91 24.79 9.76 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.22 2.208 . . . . 0.0 113.179 -177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.54 -37.89 49.82 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.126 1.77 . . . . 0.0 112.423 -178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 41.7 m80 52.7 13.61 0.35 Allowed 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 127.485 2.314 . . . . 0.0 116.092 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -147.46 166.3 27.65 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 128.807 2.843 . . . . 0.0 109.888 172.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 28.0 mm -126.41 141.69 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.351 1.86 . . . . 0.0 108.126 166.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -82.29 -67.08 0.81 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.547 1.139 . . . . 0.0 108.479 168.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -140.39 165.35 27.67 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.375 1.47 . . . . 0.0 113.132 173.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.6 p -127.33 141.27 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 127.464 2.306 . . . . 0.0 109.75 165.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.9 t -117.93 126.04 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.97 1.708 . . . . 0.0 108.961 -175.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 60.1 t -132.91 123.97 49.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.313 1.045 . . . . 0.0 111.958 -167.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.29 118.27 5.04 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 125.387 1.47 . . . . 0.0 112.175 177.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 mt -115.93 125.65 73.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 125.198 1.399 . . . . 0.0 108.655 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.25 143.57 46.3 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.193 0.425 . . . . 0.0 112.784 -177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.27 -14.39 60.61 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.454 -1.027 . . . . 0.0 112.815 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -116.45 7.02 13.69 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.858 2.063 . . . . 0.0 114.052 174.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 75.7 m -69.7 -18.1 63.52 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.77 0.828 . . . . 0.0 112.71 171.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.89 0.77 0.08 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 129.241 3.017 . . . . 0.0 117.682 171.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.6 ptp -68.19 154.12 42.36 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.625 1.17 . . . . 0.0 112.326 175.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -81.16 95.73 6.99 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.177 0.991 . . . . 0.0 110.877 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -50.62 -38.66 47.21 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 125.593 1.557 . . . . 0.0 113.485 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.5 t -62.77 -49.67 74.07 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.971 1.708 . . . . 0.0 112.064 173.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.3 tp -59.71 -47.32 86.1 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.844 0.858 . . . . 0.0 111.453 174.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -53.39 -57.14 11.67 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.639 1.176 . . . . 0.0 112.724 177.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.81 -42.7 97.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 175.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -63.09 -33.13 74.78 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.054 0.454 . . . . 0.0 111.754 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.96 -47.6 71.11 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.385 1.074 . . . . 0.0 110.96 172.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -51.59 -53.31 39.55 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 170.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.41 -8.94 57.97 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.503 1.297 . . . . 0.0 114.503 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.7 m -82.75 -60.5 2.15 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 125.546 1.538 . . . . 0.0 111.015 163.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -78.16 2.06 19.33 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -171.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.43 -28.0 4.76 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.071 1.749 . . . . 0.0 114.117 172.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -57.16 -18.16 14.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.147 1.379 . . . . 0.0 114.571 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -66.99 -25.56 66.37 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.833 1.253 . . . . 0.0 113.787 172.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -143.97 116.03 8.38 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.629 1.571 . . . . 0.0 111.754 -171.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 tp -59.22 -28.34 66.59 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 120.852 -1.155 . . . . 0.0 113.985 -172.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 1.8 m -65.02 -25.81 38.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.114 0.965 . . . . 0.0 112.706 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.4 t -81.67 -26.0 35.09 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.817 2.047 . . . . 0.0 112.979 -175.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.9 mtpt -65.34 -10.51 33.56 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.998 1.481 . . . . 0.0 114.998 -178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -121.19 -1.94 9.68 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 126.081 1.752 . . . . 0.0 113.676 171.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.68 158.13 31.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.07 1.348 . . . . 0.0 112.972 -178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 66.8 mt -131.89 145.07 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.913 1.285 . . . . 0.0 110.044 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.3 tp -116.24 116.94 28.7 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.822 1.649 . . . . 0.0 111.345 -172.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -103.38 105.27 15.49 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.572 1.949 . . . . 0.0 112.764 -176.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.1 mp -74.17 139.08 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.381 -0.824 . . . . 0.0 111.191 172.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.65 122.67 66.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 128.246 2.618 . . . . 0.0 109.003 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -74.65 106.56 6.27 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.603 1.161 . . . . 0.0 111.064 177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -88.58 144.57 26.23 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.264 1.025 . . . . 0.0 112.521 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.61 169.13 17.91 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.649 1.58 . . . . 0.0 112.772 168.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.1 t -105.16 154.83 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 126.239 1.815 . . . . 0.0 110.459 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -142.27 134.81 28.09 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.438 1.095 . . . . 0.0 111.825 175.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 70.2 mt -111.34 101.72 10.16 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 128.195 2.598 . . . . 0.0 111.145 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -81.9 149.33 28.31 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 126.404 1.882 . . . . 0.0 112.059 169.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.431 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 2.9 t -92.72 151.3 20.14 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.713 1.205 . . . . 0.0 113.1 174.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -62.25 -72.76 0.12 Allowed 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.199 2.2 . . . . 0.0 114.018 178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -113.69 55.44 0.72 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.156 1.783 . . . . 0.0 111.439 -171.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.431 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -138.31 -155.13 0.57 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 127.651 2.38 . . . . 0.0 110.656 -168.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 t -148.57 26.58 0.93 Allowed 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.755 1.222 . . . . 0.0 112.797 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.423 ' CD2' ' HG2' ' A' ' 94' ' ' GLU . 82.2 t60 -146.77 154.43 41.37 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.268 1.027 . . . . 0.0 113.471 -166.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.07 148.14 25.34 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 C-N-CA 126.608 1.963 . . . . 0.0 110.763 171.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -142.72 -174.89 4.28 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.63 1.572 . . . . 0.0 112.248 177.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -110.95 142.9 27.19 Favored Pre-proline 0 N--CA 1.477 0.886 0 C-N-CA 125.345 1.458 . . . . 0.0 111.445 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -69.08 123.54 10.44 Favored 'Trans proline' 0 CA--C 1.539 0.758 0 C-N-CA 123.007 2.472 . . . . 0.0 112.679 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -138.49 -68.18 0.45 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.536 1.534 . . . . 0.0 111.023 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.36 167.9 17.15 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.336 1.054 . . . . 0.0 113.24 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.96 -68.56 0.59 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.609 1.564 . . . . 0.0 112.107 178.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -65.32 -36.64 84.66 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.161 0.984 . . . . 0.0 112.624 -176.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -106.44 24.65 12.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 128.203 2.601 . . . . 0.0 111.49 172.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.15 29.16 3.95 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 127.823 2.63 . . . . 0.0 114.315 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.6 m -62.78 165.69 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.407 1.483 . . . . 0.0 112.037 168.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 49.7 t -61.17 166.26 3.82 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.49 1.516 . . . . 0.0 112.692 171.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.423 ' HG2' ' CD2' ' A' ' 81' ' ' HIS . 10.8 pt-20 -89.19 -31.41 17.95 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 178.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -93.72 -62.78 1.29 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.954 1.302 . . . . 0.0 111.477 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.3 p -79.37 174.27 11.74 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.871 0.869 . . . . 0.0 110.737 162.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -124.35 46.65 2.24 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.743 -1.223 . . . . 0.0 113.043 -171.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.2 m -136.9 155.65 49.48 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.833 1.253 . . . . 0.0 111.618 -177.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -87.7 14.94 7.53 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.395 1.878 . . . . 0.0 114.121 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -66.92 -1.49 4.08 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.462 1.905 . . . . 0.0 115.81 -172.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.4 m -58.52 152.46 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.938 1.295 . . . . 0.0 113.311 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.79 154.15 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.251 1.821 . . . . 0.0 111.797 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.9 mp -75.88 109.31 9.36 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 C-N-CA 124.464 1.106 . . . . 0.0 108.629 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.1 t -91.34 -12.46 34.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.576 0.75 . . . . 0.0 112.022 177.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -160.01 131.72 6.1 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.619 1.968 . . . . 0.0 108.493 -174.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.39 -11.16 39.58 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.791 1.186 . . . . 0.0 115.341 172.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -66.82 -33.82 76.46 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.568 1.547 . . . . 0.0 112.352 175.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -138.09 158.09 45.02 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 127.369 2.268 . . . . 0.0 110.8 -175.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -78.9 168.62 19.44 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.377 1.071 . . . . 0.0 113.275 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -154.84 159.43 40.53 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.374 1.869 . . . . 0.0 112.868 171.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.2 mp -72.42 152.72 41.82 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 121.214 -0.928 . . . . 0.0 110.179 163.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 89.9 mt -115.55 -55.72 2.41 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.048 1.339 . . . . 0.0 111.699 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.4 t -159.18 169.83 23.28 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.227 1.011 . . . . 0.0 112.259 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.16 167.34 14.38 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.428 1.491 . . . . 0.0 110.823 170.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -132.58 139.69 47.92 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.936 1.694 . . . . 0.0 110.311 170.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.4 mtt -134.96 123.0 22.68 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 126.847 2.059 . . . . 0.0 109.542 176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 28.8 mt -137.53 157.65 46.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.89 1.276 . . . . 0.0 112.648 -175.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -85.98 -13.25 48.16 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.391 1.476 . . . . 0.0 114.26 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.473 0.705 0 C-N-CA 125.3 1.44 . . . . 0.0 112.495 -170.471 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 112.096 -0.402 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -63.86 -29.92 71.06 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -173.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.6 ttt 57.97 12.69 1.86 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 127.359 2.264 . . . . 0.0 116.073 172.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -62.6 -21.47 65.66 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 120.506 -1.371 . . . . 0.0 114.536 -172.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.59 -24.7 61.46 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.286 1.434 . . . . 0.0 114.332 -178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -92.81 -6.54 48.65 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.038 1.125 . . . . 0.0 114.038 177.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -61.95 -53.84 50.06 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.851 0.861 . . . . 0.0 111.15 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 p -57.83 -41.92 80.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.291 1.036 . . . . 0.0 112.547 176.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 98.0 t -60.28 -61.5 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 126.472 1.909 . . . . 0.0 111.516 178.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.7 t -53.77 -42.23 68.02 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.612 1.165 . . . . 0.0 111.842 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -58.95 -53.96 52.56 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.374 1.07 . . . . 0.0 112.258 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.64 -53.62 52.3 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.924 0.889 . . . . 0.0 111.588 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.5 mt -55.83 -48.92 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 125.082 1.353 . . . . 0.0 110.938 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.11 -48.22 82.66 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.02 -53.72 54.48 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.231 1.012 . . . . 0.0 112.128 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.5 p -68.08 -32.59 73.03 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -177.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -58.75 -46.3 87.75 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.295 0.952 . . . . 0.0 111.346 167.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.58 -44.3 94.47 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.435 0.694 . . . . 0.0 111.816 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -61.71 -41.82 98.12 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.394 -0.816 . . . . 0.0 112.12 173.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.83 -48.74 75.57 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 121.586 -0.696 . . . . 0.0 112.319 -178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -63.82 -32.24 73.69 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.279 0.945 . . . . 0.0 112.977 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -71.59 -39.92 70.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.566 1.146 . . . . 0.0 111.179 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -82.88 -0.47 48.41 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.779 1.231 . . . . 0.0 113.245 172.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 57.57 27.57 14.33 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.895 2.078 . . . . 0.0 112.829 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.06 -30.86 64.01 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.723 1.209 . . . . 0.0 113.308 -174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 56.23 2.25 0.08 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.025 2.53 . . . . 0.0 116.509 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -157.65 176.54 12.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.762 2.425 . . . . 0.0 111.294 165.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 88.3 mt -126.33 141.46 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.098 1.759 . . . . 0.0 109.215 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -86.83 -49.7 7.24 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.015 0.926 . . . . 0.0 110.353 170.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -152.1 158.29 42.77 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.059 1.344 . . . . 0.0 114.205 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 p -124.96 134.46 66.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 128.42 2.688 . . . . 0.0 109.216 157.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.4 t -117.38 123.02 71.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 126.011 1.724 . . . . 0.0 108.069 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.03 152.92 38.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.33 1.452 . . . . 0.0 110.573 -171.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -118.68 134.66 11.01 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 124.636 1.113 . . . . 0.0 111.585 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.0 mt -132.49 123.82 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 125.704 1.602 . . . . 0.0 108.728 -178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.18 146.0 50.04 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 123.213 0.435 . . . . 0.0 112.938 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.21 -11.25 58.97 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.225 -1.162 . . . . 0.0 112.906 -176.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 -112.75 3.12 16.32 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.424 1.89 . . . . 0.0 114.37 172.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.2 m -69.76 -18.37 63.5 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.941 0.896 . . . . 0.0 113.22 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.85 16.7 2.17 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 127.39 2.276 . . . . 0.0 116.097 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 66.5 mtt -71.27 135.06 47.25 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.161 1.384 . . . . 0.0 111.089 177.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -76.96 95.49 4.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.645 0.778 . . . . 0.0 109.949 171.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -56.0 -35.49 66.85 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 27.4 t -61.41 -48.65 80.24 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.445 1.498 . . . . 0.0 111.734 174.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 48.4 tp -60.85 -49.04 79.09 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.31 1.044 . . . . 0.0 111.705 175.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -58.67 -53.17 61.43 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.612 0.765 . . . . 0.0 112.955 177.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.06 -40.14 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 119.91 1.232 . . . . 0.0 113.1 174.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 29.9 t -63.57 -30.44 71.55 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.391 0.542 . . . . 0.0 111.852 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.73 -42.73 70.15 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.369 -0.832 . . . . 0.0 111.932 173.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -55.83 -49.81 72.26 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.528 -0.732 . . . . 0.0 112.369 167.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -62.8 -23.59 67.32 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.333 1.453 . . . . 0.0 113.644 178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.2 m -74.67 -60.54 2.23 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.871 1.268 . . . . 0.0 111.088 169.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.22 -8.53 56.86 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 115.729 1.751 . . . . 0.0 115.729 -173.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -48.6 -30.05 4.96 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.565 1.546 . . . . 0.0 114.056 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.6 -27.89 59.1 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 127.53 2.332 . . . . 0.0 114.21 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -64.18 -14.67 56.78 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.361 1.464 . . . . 0.0 113.638 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.1 m -135.38 169.07 18.05 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.236 1.814 . . . . 0.0 110.917 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -82.82 -48.26 10.98 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.826 -1.171 . . . . 0.0 111.438 173.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 m -66.79 -25.37 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 125.632 1.573 . . . . 0.0 113.745 -169.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 2.7 m -74.67 -26.0 59.55 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.897 1.279 . . . . 0.0 113.263 178.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -68.08 -21.94 64.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.24 1.57 . . . . 0.0 115.24 -165.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.77 7.73 10.5 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.4 1.88 . . . . 0.0 113.857 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.08 164.86 21.5 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.577 1.151 . . . . 0.0 112.715 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.8 mm -125.86 139.59 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 125.955 1.702 . . . . 0.0 109.673 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 tp -114.84 108.27 16.52 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.125 1.37 . . . . 0.0 111.003 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -102.37 115.15 29.97 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.835 1.654 . . . . 0.0 112.59 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 68.5 mt -104.68 101.24 12.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 C-N-CA 125.982 1.713 . . . . 0.0 111.487 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 52.5 t -74.67 122.46 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.235 1.814 . . . . 0.0 111.432 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -71.28 103.44 2.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.06 1.344 . . . . 0.0 110.818 168.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -99.51 144.95 28.01 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.972 1.709 . . . . 0.0 111.943 -171.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -74.7 169.86 16.99 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 120.955 -1.091 . . . . 0.0 113.155 179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.9 m -123.06 158.27 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 125.095 1.358 . . . . 0.0 112.935 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -154.58 143.51 20.96 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.4 1.08 . . . . 0.0 111.3 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -115.32 103.5 10.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.776 2.03 . . . . 0.0 110.506 -174.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -81.39 152.37 27.49 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.94 0.896 . . . . 0.0 112.788 170.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.427 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.1 t -78.67 155.04 29.67 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.655 0.782 . . . . 0.0 111.443 165.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -62.9 -63.0 1.34 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.362 1.865 . . . . 0.0 114.424 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -128.66 58.13 1.58 Allowed 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.706 1.602 . . . . 0.0 111.172 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.427 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.17 -155.59 0.6 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.771 2.028 . . . . 0.0 111.337 -163.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 t -146.78 25.7 1.16 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.79 1.236 . . . . 0.0 112.946 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -140.46 149.66 42.83 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.851 1.261 . . . . 0.0 112.707 -172.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -139.34 152.29 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 126.57 1.948 . . . . 0.0 110.544 173.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -143.97 -178.59 6.01 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.828 1.251 . . . . 0.0 112.969 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -99.55 141.4 22.75 Favored Pre-proline 0 N--CA 1.48 1.056 0 C-N-CA 125.311 1.444 . . . . 0.0 112.195 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.98 120.88 7.37 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 122.978 2.452 . . . . 0.0 111.729 -174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -143.67 -65.47 0.37 Allowed 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.863 1.265 . . . . 0.0 112.01 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -69.4 167.66 16.1 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.554 1.142 . . . . 0.0 113.116 175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.36 -69.29 0.7 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.482 1.513 . . . . 0.0 111.738 177.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -67.84 -41.72 82.53 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.828 0.851 . . . . 0.0 111.98 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -98.67 29.55 3.67 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 127.422 2.289 . . . . 0.0 112.065 177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.54 24.93 4.05 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 127.081 2.277 . . . . 0.0 114.715 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.2 m -64.79 156.38 5.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.89 1.676 . . . . 0.0 112.679 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.4 t -69.24 148.82 49.27 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.318 1.447 . . . . 0.0 111.892 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -69.8 -33.4 72.3 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 121.526 -0.734 . . . . 0.0 112.513 -174.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -81.97 -56.62 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.691 1.196 . . . . 0.0 112.372 173.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.1 p -112.91 128.49 56.48 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.381 1.472 . . . . 0.0 111.435 -173.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -80.14 56.29 2.4 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.434 -1.416 . . . . 0.0 113.578 -168.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 57.8 m -136.25 149.43 48.51 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.087 2.155 . . . . 0.0 109.914 177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -105.91 26.0 10.2 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 125.584 1.553 . . . . 0.0 113.291 -172.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.83 1.1 2.78 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.684 2.794 . . . . 0.0 115.726 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 16.4 m -54.71 149.67 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.329 1.452 . . . . 0.0 114.004 -175.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.95 154.2 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.738 1.615 . . . . 0.0 112.14 176.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.9 mt -78.27 108.11 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.207 1.003 . . . . 0.0 108.937 -174.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -86.85 -9.53 55.54 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.591 1.157 . . . . 0.0 112.677 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.8 tp60 -157.66 126.5 5.72 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 127.035 2.134 . . . . 0.0 107.83 -169.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.14 18.08 78.87 Favored Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.02 0.768 . . . . 0.0 115.02 174.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -59.72 -38.32 81.33 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.368 1.467 . . . . 0.0 111.788 175.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.4 166.77 27.11 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.716 1.606 . . . . 0.0 112.365 176.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -70.63 150.74 45.71 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.185 1.394 . . . . 0.0 112.583 174.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.7 ptt180 -154.9 154.88 33.34 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.697 1.599 . . . . 0.0 112.01 172.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.8 pp -63.9 152.42 39.85 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 122.111 -0.368 . . . . 0.0 111.133 167.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 91.8 mt -113.99 -57.8 2.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.718 1.207 . . . . 0.0 110.478 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 39.9 m -151.72 164.2 37.49 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.926 1.69 . . . . 0.0 111.46 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.4 mt -115.99 170.3 8.59 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.978 0.911 . . . . 0.0 110.628 161.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -140.54 122.21 15.28 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.35 1.86 . . . . 0.0 108.316 173.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 18.8 ptp -135.13 111.59 9.83 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 121.155 -0.966 . . . . 0.0 110.998 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 1.8 pp -70.03 159.69 33.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.985 1.314 . . . . 0.0 112.319 -175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -140.79 -68.77 0.4 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.648 1.179 . . . . 0.0 112.138 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 . . . . . 0 N--CA 1.472 0.644 0 C-N-CA 124.838 1.255 . . . . 0.0 111.77 -179.096 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.561 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 m -66.22 93.83 0.23 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.752 1.621 . . . . 0.0 113.071 -177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.8 mmt -68.67 174.2 4.48 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.303 1.441 . . . . 0.0 113.055 172.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -129.28 -69.67 0.69 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.259 1.423 . . . . 0.0 111.229 171.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.47 -33.51 74.29 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -85.54 -3.67 58.94 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.58 1.152 . . . . 0.0 114.052 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.0 m -62.36 -33.74 75.33 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -174.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.6 t -68.19 -52.23 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.151 0.887 . . . . 0.0 110.173 167.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.4 t -55.59 -62.61 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 125.805 1.642 . . . . 0.0 111.149 -167.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.2 m -59.37 -35.0 73.09 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.069 1.348 . . . . 0.0 112.86 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 t -63.28 -43.28 98.38 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.229 0.612 . . . . 0.0 111.536 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.24 -41.58 97.14 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.759 0.824 . . . . 0.0 112.906 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.91 -50.84 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 118.52 0.6 . . . . 0.0 110.527 174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.84 89.42 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.017 0.927 . . . . 0.0 112.738 178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tt -60.74 -49.96 75.42 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.458 1.503 . . . . 0.0 111.376 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.7 m -63.65 -40.09 95.97 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -58.0 -45.94 86.02 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.292 -0.88 . . . . 0.0 111.457 172.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -62.11 -47.92 82.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.267 1.427 . . . . 0.0 111.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.43 ' CE1' HD22 ' A' ' 114' ' ' LEU . 0.7 OUTLIER -64.06 -33.35 75.56 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.906 -1.121 . . . . 0.0 112.827 177.726 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.28 -29.75 64.17 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -176.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -79.72 -31.6 41.15 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.384 0.993 . . . . 0.0 113.054 167.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -73.72 -44.36 56.63 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.35 1.06 . . . . 0.0 111.323 -176.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -84.18 -5.18 59.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.692 1.597 . . . . 0.0 113.091 172.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 55.22 30.71 15.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 126.568 1.947 . . . . 0.0 112.685 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.18 -38.1 60.98 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.956 1.702 . . . . 0.0 112.613 -178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.2 m170 53.57 3.52 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 128.482 2.713 . . . . 0.0 117.295 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -144.87 166.21 25.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 128.289 2.636 . . . . 0.0 110.119 169.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.2 mm -115.28 156.85 16.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.689 1.595 . . . . 0.0 110.518 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -114.76 -49.41 2.81 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.354 1.461 . . . . 0.0 110.813 164.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -149.61 162.89 39.31 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.28 147.09 31.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 125.648 1.579 . . . . 0.0 109.874 155.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.2 t -126.38 108.39 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 C-N-CA 126.191 1.797 . . . . 0.0 108.714 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.2 p -97.97 141.57 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.148 0.979 . . . . 0.0 111.729 -178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.6 120.41 6.71 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 126.558 2.028 . . . . 0.0 111.053 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.2 mt -126.46 127.1 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 125.119 1.368 . . . . 0.0 108.555 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.17 144.23 48.66 Favored Glycine 0 CA--C 1.533 1.214 0 C-N-CA 123.46 0.552 . . . . 0.0 112.384 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -78.47 -3.34 42.98 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.105 -1.233 . . . . 0.0 112.849 -169.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -113.21 -5.72 13.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 128.267 2.627 . . . . 0.0 113.554 174.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.0 m -72.25 -14.47 61.78 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -166.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.31 -1.54 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 128.208 2.603 . . . . 0.0 117.19 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 76.0 mtm -67.84 112.76 5.08 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.536 1.534 . . . . 0.0 110.462 171.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -62.21 108.52 1.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.546 1.138 . . . . 0.0 112.717 -177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -53.03 -36.02 60.09 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.496 1.518 . . . . 0.0 114.14 173.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.4 t -66.01 -42.76 89.28 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.519 1.127 . . . . 0.0 111.306 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -60.22 -53.02 62.67 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 124.094 0.958 . . . . 0.0 110.352 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -54.54 -54.97 34.07 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -60.95 -42.48 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.587 -0.696 . . . . 0.0 112.682 176.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.9 t -61.15 -34.11 74.49 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.5 -45.64 75.26 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.72 0.808 . . . . 0.0 111.818 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -58.4 -44.98 89.23 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.219 1.007 . . . . 0.0 112.356 173.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -63.47 -25.07 68.09 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.272 1.429 . . . . 0.0 113.615 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 77.5 m -74.61 -59.58 2.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.839 0.856 . . . . 0.0 111.129 164.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -14.1 62.41 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -168.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -53.15 -23.9 9.31 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 125.658 1.583 . . . . 0.0 114.956 175.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.23 -23.66 67.53 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.914 1.685 . . . . 0.0 113.738 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.1 -25.6 66.3 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.013 0.925 . . . . 0.0 112.917 172.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -85.24 177.46 7.84 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.659 1.584 . . . . 0.0 112.623 173.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -102.37 -42.37 6.02 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.497 1.119 . . . . 0.0 111.384 154.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -77.79 -33.32 18.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 125.112 1.365 . . . . 0.0 112.191 -172.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.3 t -76.87 -15.53 59.67 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.566 0.746 . . . . 0.0 112.526 -169.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -43.28 88.56 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.772 0.715 . . . . 0.0 112.564 179.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -95.64 73.99 3.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.009 1.324 . . . . 0.0 110.298 176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.98 165.74 26.53 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.801 1.64 . . . . 0.0 112.098 178.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mm -135.74 142.72 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 126.301 1.841 . . . . 0.0 108.684 167.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 tp -115.58 107.9 15.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.477 1.911 . . . . 0.0 109.646 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -91.67 144.88 25.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.915 1.286 . . . . 0.0 111.884 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.9 mm -104.78 142.45 18.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.275 1.43 . . . . 0.0 110.758 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 95.8 t -127.97 120.87 54.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 126.791 2.036 . . . . 0.0 109.592 171.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -74.33 100.0 3.64 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.762 1.225 . . . . 0.0 110.67 172.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.99 142.27 49.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.677 0.791 . . . . 0.0 111.597 174.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -63.45 156.96 24.59 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.296 0.638 . . . . 0.0 110.727 166.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.5 m -123.39 154.96 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.7 1.2 . . . . 0.0 111.554 176.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -148.86 143.78 26.49 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.507 1.123 . . . . 0.0 110.132 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.66 111.37 17.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.189 1.796 . . . . 0.0 111.645 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -79.3 155.03 28.68 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.042 0.937 . . . . 0.0 112.795 166.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.444 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.1 t -80.49 158.6 25.81 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.877 0.871 . . . . 0.0 111.657 165.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -64.13 -65.32 0.69 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.659 1.983 . . . . 0.0 114.103 177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -127.11 59.58 1.41 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.743 1.617 . . . . 0.0 111.019 -168.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.86 -157.91 0.83 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.046 2.139 . . . . 0.0 111.313 -164.183 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.6 t -147.48 33.35 0.87 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.64 1.176 . . . . 0.0 112.613 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -145.85 150.42 36.12 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.443 1.097 . . . . 0.0 113.066 -172.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.62 150.42 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 126.469 1.908 . . . . 0.0 110.967 172.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.32 175.05 11.08 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 125.328 1.451 . . . . 0.0 112.482 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.46 143.54 26.8 Favored Pre-proline 0 N--CA 1.48 1.029 0 C-N-CA 124.537 1.135 . . . . 0.0 112.748 -177.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.88 118.61 5.79 Favored 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.921 3.081 . . . . 0.0 112.223 -175.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -141.44 -61.49 0.47 Allowed 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.192 1.397 . . . . 0.0 112.411 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.37 157.93 30.59 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.013 0.925 . . . . 0.0 112.842 177.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -131.59 -40.02 1.11 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -176.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.38 -30.68 60.22 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.675 1.125 . . . . 0.0 112.417 178.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -103.44 -87.63 0.42 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.743 1.617 . . . . 0.0 110.545 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 67.82 10.39 58.38 Favored Glycine 0 CA--C 1.54 1.639 0 N-CA-C 115.512 0.965 . . . . 0.0 115.512 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.8 m -63.79 158.42 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 118.512 1.156 . . . . 0.0 112.519 173.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -66.75 147.61 53.03 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.33 1.052 . . . . 0.0 111.559 173.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -66.02 -43.7 86.83 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.778 0.831 . . . . 0.0 111.913 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -73.56 -56.17 5.37 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.653 1.181 . . . . 0.0 112.369 175.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 12.5 p -114.36 124.12 51.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.458 1.503 . . . . 0.0 111.82 -173.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -79.21 60.1 2.96 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.366 -1.459 . . . . 0.0 113.588 -168.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.7 m -136.86 153.82 50.67 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 127.109 2.164 . . . . 0.0 110.773 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -97.45 14.06 27.66 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.711 1.604 . . . . 0.0 113.68 -172.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -67.18 -2.52 5.87 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.675 2.39 . . . . 0.0 116.353 -172.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.51 151.32 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.896 1.678 . . . . 0.0 113.92 -174.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.21 153.54 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.584 1.554 . . . . 0.0 112.453 176.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.4 mp -74.73 115.85 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.143 1.377 . . . . 0.0 108.522 -177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.4 t -97.39 -8.11 30.25 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.968 1.307 . . . . 0.0 112.663 -177.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -157.14 127.11 6.27 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 126.38 1.872 . . . . 0.0 108.891 -174.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.77 18.21 77.59 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.433 1.016 . . . . 0.0 114.571 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -62.05 -31.68 72.12 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.574 1.55 . . . . 0.0 112.783 177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -141.96 156.83 45.47 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.317 1.847 . . . . 0.0 111.263 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 25.0 ptm -79.84 150.05 30.8 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.494 0.718 . . . . 0.0 112.352 175.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 29.7 mtp-105 -150.43 165.74 32.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 126.575 1.95 . . . . 0.0 110.487 171.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -59.62 158.64 9.69 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.295 -0.878 . . . . 0.0 112.729 162.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.91 -53.66 2.27 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.865 1.666 . . . . 0.0 111.265 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.4 p -149.47 162.44 40.13 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.991 1.316 . . . . 0.0 111.949 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.43 HD22 ' CE1' ' A' ' 19' ' ' HIS . 0.1 OUTLIER -140.18 157.16 46.04 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.945 1.298 . . . . 0.0 110.116 175.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -139.72 144.75 37.67 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.04 1.336 . . . . 0.0 111.62 -175.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -125.86 168.22 14.15 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 126.091 1.756 . . . . 0.0 111.177 175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 pp -125.8 163.19 23.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.968 1.307 . . . . 0.0 113.008 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -153.47 -58.21 0.13 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.332 1.453 . . . . 0.0 111.83 -178.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 125.11 1.364 . . . . 0.0 112.498 178.132 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 p -142.61 149.64 39.24 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.193 1.397 . . . . 0.0 112.194 179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -81.01 63.02 5.22 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.539 1.536 . . . . 0.0 112.296 -172.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -129.9 -61.16 1.0 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.439 1.896 . . . . 0.0 110.558 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -60.52 -27.89 67.97 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -75.98 -2.99 33.16 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.323 1.231 . . . . 0.0 114.323 176.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -58.94 -61.18 2.83 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -55.49 -42.39 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 124.161 0.985 . . . . 0.0 112.434 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 73.9 t -57.51 -66.91 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 127.999 2.519 . . . . 0.0 111.746 176.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.6 t -52.39 -44.74 65.5 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.832 1.253 . . . . 0.0 112.162 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.8 m -59.77 -48.35 82.05 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.455 0.702 . . . . 0.0 112.812 178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.86 -51.77 68.6 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.023 0.829 . . . . 0.0 112.738 176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.56 -45.18 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.78 0.832 . . . . 0.0 110.73 -179.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.6 56.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.691 0.797 . . . . 0.0 112.419 173.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.2 mt -55.87 -52.36 64.34 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.104 0.962 . . . . 0.0 112.113 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.7 p -66.34 -35.52 80.57 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -58.0 -48.36 80.27 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 119.338 0.972 . . . . 0.0 111.38 168.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -65.47 -41.98 92.78 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.054 0.942 . . . . 0.0 112.296 -179.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -63.28 -42.93 99.15 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.393 -0.817 . . . . 0.0 111.677 173.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.8 -48.76 75.57 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.637 0.653 . . . . 0.0 112.177 -176.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -63.56 -34.23 77.35 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -74.01 -40.93 62.58 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.606 1.162 . . . . 0.0 111.318 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -78.54 -5.14 51.89 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.756 1.622 . . . . 0.0 113.152 173.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 56.2 31.36 18.22 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.801 2.041 . . . . 0.0 112.256 -174.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.61 -42.93 67.09 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.021 1.329 . . . . 0.0 112.307 -177.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 48.42 26.82 1.23 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.473 1.909 . . . . 0.0 114.503 -172.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -160.66 159.46 30.36 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 127.016 2.127 . . . . 0.0 111.105 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 87.9 mt -134.99 142.64 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 126.377 1.871 . . . . 0.0 108.392 168.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -94.26 -65.32 0.99 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.073 1.349 . . . . 0.0 109.225 167.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 91.2 mtm-85 -139.71 162.69 34.51 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.961 1.304 . . . . 0.0 113.432 172.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 m -123.42 127.68 74.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 125.931 1.693 . . . . 0.0 110.028 169.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 10.9 t -99.49 121.74 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 125.384 1.473 . . . . 0.0 110.393 -167.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 t -132.01 123.52 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.355 1.062 . . . . 0.0 111.329 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -90.34 120.56 5.91 Favored Glycine 0 CA--C 1.528 0.874 0 C-N-CA 126.229 1.871 . . . . 0.0 112.463 -178.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 27.1 mt -116.4 125.47 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 125.978 1.711 . . . . 0.0 108.526 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.39 141.22 46.87 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 123.704 0.668 . . . . 0.0 112.928 -175.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -68.42 -15.6 63.61 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.323 -1.104 . . . . 0.0 113.269 -173.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -106.28 2.28 26.61 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.048 1.739 . . . . 0.0 114.13 173.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.0 t -63.46 -37.91 89.12 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.51 1.124 . . . . 0.0 112.45 178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.06 10.36 0.59 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.341 2.257 . . . . 0.0 115.732 -178.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.1 mtm -64.93 144.26 57.4 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.176 -0.952 . . . . 0.0 111.59 172.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -74.08 93.09 2.23 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.902 1.281 . . . . 0.0 111.528 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -53.11 -28.53 25.97 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.37 1.868 . . . . 0.0 114.616 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -57.8 -39.55 77.79 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 126.308 1.843 . . . . 0.0 112.854 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.7 mt -67.67 -46.88 71.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.478 -0.764 . . . . 0.0 109.724 173.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.499 ' CE2' HD21 ' A' ' 65' ' ' LEU . 21.3 t80 -58.39 -52.83 63.98 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 123.271 0.357 . . . . 0.0 111.495 -172.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.48 -44.09 92.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.4 t -63.89 -34.15 77.31 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.773 0.32 . . . . 0.0 111.45 178.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.26 -45.97 62.01 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.177 -0.952 . . . . 0.0 111.721 175.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -52.25 -54.98 24.34 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.742 1.217 . . . . 0.0 111.18 171.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.88 -27.3 60.99 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -174.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.9 m -56.07 -41.82 75.71 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 120.075 1.307 . . . . 0.0 112.168 175.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -87.24 17.06 4.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.162 . . . . 0.0 113.763 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -31.96 16.69 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 119.866 1.212 . . . . 0.0 113.391 175.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.85 -18.69 60.98 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.107 1.763 . . . . 0.0 114.218 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -70.26 -21.02 63.02 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.715 1.206 . . . . 0.0 113.655 179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 25.5 t -146.0 128.77 16.27 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.954 1.301 . . . . 0.0 111.877 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.7 mt -58.47 -32.29 68.62 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -79.15 -22.7 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 10.5 t -74.7 -24.16 58.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.004 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -60.14 -14.71 18.48 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.345 1.458 . . . . 0.0 114.772 174.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -111.48 -7.27 14.35 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.168 1.387 . . . . 0.0 113.959 172.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.03 148.29 46.0 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.024 0.93 . . . . 0.0 112.633 -178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.4 mt -130.84 150.09 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.16 1.784 . . . . 0.0 108.882 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD21 ' CE2' ' A' ' 46' ' ' PHE . 14.0 tp -85.83 139.76 31.0 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.219 -0.926 . . . . 0.0 111.539 -179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -116.83 88.77 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.258 1.423 . . . . 0.0 110.361 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 39.9 mt -71.81 117.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 125.767 1.627 . . . . 0.0 110.076 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.1 t -106.62 124.61 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 125.976 1.71 . . . . 0.0 110.084 176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -71.69 93.46 1.27 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.389 1.476 . . . . 0.0 111.302 169.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -75.19 138.84 42.24 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.891 1.276 . . . . 0.0 111.788 178.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -65.75 161.92 19.76 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.673 -0.642 . . . . 0.0 111.051 168.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.8 m -115.07 152.77 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.929 1.291 . . . . 0.0 111.822 174.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -151.59 144.46 24.44 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.15 0.796 . . . . 0.0 113.15 -176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -123.32 97.02 5.22 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 127.1 2.16 . . . . 0.0 111.583 -168.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 82' ' ' VAL . 10.7 mt-10 -68.87 154.11 42.6 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.352 1.461 . . . . 0.0 112.021 165.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 6.1 t -79.92 163.09 24.59 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-O 121.685 0.755 . . . . 0.0 111.573 161.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -66.99 -69.38 0.31 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.218 1.807 . . . . 0.0 114.355 177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -125.63 58.88 1.3 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.696 1.598 . . . . 0.0 110.977 -167.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.8 OUTLIER -140.88 -155.4 0.58 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.483 1.913 . . . . 0.0 111.85 -160.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.9 t -152.49 61.65 0.81 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.525 1.13 . . . . 0.0 110.387 163.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -152.93 154.51 35.16 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.297 1.039 . . . . 0.0 113.134 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 75' ' ' GLU . 1.2 p -152.69 140.27 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 127.302 2.241 . . . . 0.0 110.705 171.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -136.94 -173.25 3.39 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.0 1.72 . . . . 0.0 112.17 178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -93.59 153.06 41.29 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 124.399 1.08 . . . . 0.0 111.325 171.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -77.46 -175.64 2.79 Favored 'Trans proline' 0 CA--C 1.544 0.993 0 C-N-CA 123.31 2.673 . . . . 0.0 112.334 174.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 58.02 81.83 0.14 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.451 2.3 . . . . 0.0 113.181 -177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -147.87 162.18 39.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.306 169.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.7 pp -113.4 -25.96 8.56 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -102.03 -13.81 17.39 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.323 1.049 . . . . 0.0 113.134 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.44 52.17 1.75 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.212 1.805 . . . . 0.0 112.209 -177.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.4 -35.0 68.64 Favored Glycine 0 CA--C 1.538 1.48 0 O-C-N 121.322 -0.861 . . . . 0.0 113.05 173.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.7 m -75.12 162.87 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.656 1.582 . . . . 0.0 112.505 170.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -59.52 135.14 57.58 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.2 1.0 . . . . 0.0 109.564 165.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -68.18 -25.03 65.05 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.347 -0.846 . . . . 0.0 113.082 -173.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -85.66 -56.97 3.24 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.626 1.17 . . . . 0.0 112.274 175.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.9 p -113.08 114.16 26.45 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.318 1.447 . . . . 0.0 111.419 -176.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -76.56 68.41 2.85 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -162.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 35.0 m -140.61 155.2 46.62 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.599 2.359 . . . . 0.0 110.196 173.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -92.3 19.87 6.63 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.19 1.396 . . . . 0.0 113.515 -175.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.08 -3.1 11.94 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.796 2.038 . . . . 0.0 115.708 -175.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.3 m -52.35 144.92 2.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.288 1.435 . . . . 0.0 113.267 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.69 149.79 31.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 125.498 1.519 . . . . 0.0 112.713 -178.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.1 mp -78.81 103.13 5.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.164 1.385 . . . . 0.0 108.071 -173.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 13.3 t -88.76 -9.14 52.95 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.275 1.03 . . . . 0.0 112.585 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -151.98 117.62 5.39 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 126.678 1.991 . . . . 0.0 108.163 -168.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.51 9.84 78.1 Favored Glycine 0 CA--C 1.536 1.4 0 N-CA-C 115.95 1.14 . . . . 0.0 115.95 175.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -61.91 -34.64 76.43 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 118.932 1.366 . . . . 0.0 112.379 173.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -134.76 157.37 46.91 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.664 1.986 . . . . 0.0 109.937 169.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.4 ptm -75.03 151.71 38.71 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 112.446 171.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -150.32 157.62 43.26 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.685 1.594 . . . . 0.0 111.828 172.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -57.85 156.86 8.3 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.563 0.745 . . . . 0.0 112.799 165.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.2 mt -126.28 -50.58 1.54 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.706 1.603 . . . . 0.0 112.052 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.1 t -160.3 179.24 8.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.607 1.563 . . . . 0.0 111.337 -177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 mp -139.73 165.25 27.77 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.408 1.483 . . . . 0.0 110.7 171.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -131.62 122.34 25.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.49 1.516 . . . . 0.0 109.633 171.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 77.9 mtm -126.2 100.52 6.35 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.875 1.67 . . . . 0.0 110.111 -176.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 10.2 mt -56.93 101.6 0.06 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.146 1.778 . . . . 0.0 112.812 -178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.84 -17.81 62.11 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.039 1.336 . . . . 0.0 113.951 176.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.471 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 111.697 179.744 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 p -73.93 -21.68 59.95 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -62.33 120.33 10.8 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.366 1.466 . . . . 0.0 111.46 176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -54.59 -35.56 63.47 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.277 1.031 . . . . 0.0 113.266 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -57.06 -27.72 61.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.259 1.824 . . . . 0.0 113.778 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -108.92 -14.26 14.6 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.941 1.297 . . . . 0.0 113.702 174.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.5 t -58.09 -51.23 70.57 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.332 1.053 . . . . 0.0 111.148 170.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.4 p -54.57 -47.49 71.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.032 0.933 . . . . 0.0 112.153 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.84 -62.34 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 127.026 2.131 . . . . 0.0 111.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.1 t -57.96 -39.0 77.04 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.967 1.307 . . . . 0.0 112.236 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.7 t -61.0 -51.37 69.52 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.795 0.838 . . . . 0.0 111.6 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.3 mt -59.76 -46.75 88.19 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.945 0.898 . . . . 0.0 112.768 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.91 -50.49 68.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.026 1.33 . . . . 0.0 111.544 175.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.14 83.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.145 0.978 . . . . 0.0 112.933 177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.6 mt -59.81 -50.44 73.78 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.966 1.306 . . . . 0.0 111.964 177.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.4 t -63.46 -40.08 96.17 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.544 0.611 . . . . 0.0 112.472 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 -55.35 -52.56 63.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.992 0.917 . . . . 0.0 112.491 167.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -58.88 -45.53 89.96 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.761 0.824 . . . . 0.0 112.803 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -61.14 -43.2 99.25 Favored 'General case' 0 CA--C 1.535 0.397 0 O-C-N 121.386 -0.821 . . . . 0.0 111.766 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.76 -49.29 73.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 121.726 -0.609 . . . . 0.0 112.37 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -64.29 -31.94 73.34 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.228 0.922 . . . . 0.0 113.125 175.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -72.95 -37.85 66.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.293 1.037 . . . . 0.0 111.173 179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.08 -1.47 44.36 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.84 1.656 . . . . 0.0 113.134 171.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 57.04 25.19 10.45 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.341 2.256 . . . . 0.0 113.232 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.08 48.98 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.709 1.604 . . . . 0.0 112.778 -175.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.2 m80 54.93 6.39 0.13 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 127.887 2.475 . . . . 0.0 117.139 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -145.8 166.24 26.5 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 128.271 2.628 . . . . 0.0 110.068 162.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 64.7 mt -107.48 155.89 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.961 1.704 . . . . 0.0 108.346 170.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -95.36 -60.43 1.67 Allowed 'General case' 0 N--CA 1.47 0.553 0 O-C-N 120.862 -1.149 . . . . 0.0 109.403 159.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -152.34 162.31 41.35 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.6 1.16 . . . . 0.0 112.846 174.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.8 m -116.16 153.05 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 126.463 1.905 . . . . 0.0 108.884 163.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.3 t -128.67 123.55 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.897 1.279 . . . . 0.0 109.046 -174.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.7 p -113.38 149.55 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.678 1.191 . . . . 0.0 111.202 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -116.69 99.18 0.84 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 126.471 1.986 . . . . 0.0 109.784 172.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mt -95.64 127.18 47.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 124.295 1.038 . . . . 0.0 109.371 -179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.48 136.62 44.83 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 122.326 0.959 . . . . 0.0 113.232 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -23.65 64.58 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.183 2.193 . . . . 0.0 114.398 174.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.2 mmm-85 -112.19 2.13 16.53 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 126.116 1.766 . . . . 0.0 113.738 174.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.5 m -65.51 -28.52 69.24 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.238 1.015 . . . . 0.0 113.276 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 55.87 7.05 0.25 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 127.713 2.405 . . . . 0.0 116.49 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 71.9 mtm -71.65 130.12 40.38 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.969 1.308 . . . . 0.0 110.678 174.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -65.26 102.27 0.64 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.698 1.199 . . . . 0.0 111.91 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -55.2 -35.85 65.3 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.539 1.135 . . . . 0.0 113.529 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.9 t -62.25 -44.13 97.25 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.7 1.6 . . . . 0.0 111.613 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -59.97 -54.12 49.81 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.154 0.982 . . . . 0.0 110.262 173.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -55.05 -52.62 62.61 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.65 0.78 . . . . 0.0 113.103 -178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.39 -40.68 89.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 121.095 -1.003 . . . . 0.0 113.447 175.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.6 t -62.63 -33.68 75.51 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 117.886 0.312 . . . . 0.0 111.563 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.73 68.75 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.963 0.905 . . . . 0.0 111.695 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.81 -45.69 70.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.731 0.812 . . . . 0.0 112.501 172.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -59.78 -53.24 60.29 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.46 1.104 . . . . 0.0 112.027 173.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.3 m -50.56 -45.55 57.12 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.285 1.034 . . . . 0.0 112.16 179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -87.63 18.93 3.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.947 1.299 . . . . 0.0 114.245 -177.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -50.13 -29.41 9.03 Favored 'General case' 0 N--CA 1.482 1.144 0 CA-C-N 119.573 1.078 . . . . 0.0 113.904 174.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -80.56 -15.15 57.38 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.131 2.172 . . . . 0.0 114.716 -178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -73.32 -14.02 61.22 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.283 -0.886 . . . . 0.0 113.153 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 18.7 m -130.92 174.73 9.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 127.935 2.494 . . . . 0.0 109.644 168.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 tp -99.91 -34.14 10.24 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 120.906 -1.121 . . . . 0.0 113.039 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.05 -21.82 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.89 0.876 . . . . 0.0 112.739 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 95.3 m -75.6 -12.19 60.16 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.502 1.121 . . . . 0.0 112.704 -174.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -21.51 66.56 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 170.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -124.4 84.23 2.25 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.043 1.737 . . . . 0.0 109.937 174.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.48 166.36 30.39 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.754 1.222 . . . . 0.0 112.686 179.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.9 mt -131.48 147.85 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 127.316 2.247 . . . . 0.0 108.02 168.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.5 tp -122.44 102.02 7.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.72 1.208 . . . . 0.0 110.109 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.52 133.57 34.45 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.355 1.862 . . . . 0.0 112.095 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 15.7 mt -114.3 105.03 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 124.756 1.222 . . . . 0.0 111.026 -172.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.1 t -80.23 122.83 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.037 1.335 . . . . 0.0 109.825 167.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -72.44 109.16 5.94 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.812 1.245 . . . . 0.0 110.478 163.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -73.9 174.83 7.96 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -120.88 143.98 48.64 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.591 1.956 . . . . 0.0 110.617 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.3 p -78.23 156.75 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.356 1.062 . . . . 0.0 113.431 -172.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -158.01 136.02 10.75 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 125.151 1.38 . . . . 0.0 111.602 173.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.2 mp -124.0 109.26 13.32 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.073 1.749 . . . . 0.0 110.8 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -81.95 150.73 27.54 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.946 0.898 . . . . 0.0 112.673 172.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 4.6 t -78.83 156.69 28.6 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 121.907 0.86 . . . . 0.0 111.416 167.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -62.39 -65.9 0.62 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.777 2.031 . . . . 0.0 114.791 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -129.52 60.2 1.58 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.462 1.505 . . . . 0.0 111.013 -170.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.475 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 3.1 t -136.21 -150.77 0.38 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.614 1.966 . . . . 0.0 111.736 -161.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.2 t -146.1 17.75 1.39 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.99 1.316 . . . . 0.0 113.123 172.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -140.09 150.81 44.77 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.475 1.11 . . . . 0.0 113.659 -166.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -138.52 149.73 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 C-N-CA 126.955 2.102 . . . . 0.0 110.514 173.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -145.82 176.91 9.31 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -104.87 121.41 46.82 Favored Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 126.141 1.776 . . . . 0.0 111.12 178.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -62.68 110.96 1.21 Allowed 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.46 3.44 . . . . 0.0 112.472 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -134.72 -63.3 0.71 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.823 1.649 . . . . 0.0 111.379 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 125.63 25.18 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.78 1.232 . . . . 0.0 112.673 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.694 ' H ' HD23 ' A' ' 88' ' ' LEU . 1.9 pt? -81.48 -54.18 5.66 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.766 1.226 . . . . 0.0 112.647 176.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -75.5 -24.96 56.92 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.351 1.06 . . . . 0.0 113.542 -173.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 46.3 p90 -129.43 27.06 5.34 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.85 1.66 . . . . 0.0 113.402 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.1 16.04 1.22 Allowed Glycine 0 CA--C 1.54 1.647 0 C-N-CA 126.399 1.952 . . . . 0.0 116.234 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.8 m -62.55 173.69 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.501 1.92 . . . . 0.0 112.327 168.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 18.1 t -57.82 158.15 6.71 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-O 121.819 0.818 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -73.0 -41.8 63.92 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.416 -0.802 . . . . 0.0 110.831 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -84.55 -60.02 2.19 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.586 1.154 . . . . 0.0 112.541 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.7 m -72.14 179.06 3.48 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 125.448 1.499 . . . . 0.0 110.65 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -124.12 34.2 5.1 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.904 -1.122 . . . . 0.0 112.801 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.2 m -131.45 156.21 46.02 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.817 1.247 . . . . 0.0 111.346 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -90.89 30.19 1.24 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.183 1.793 . . . . 0.0 112.182 174.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -68.23 -7.28 29.09 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.317 1.847 . . . . 0.0 114.628 -177.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 29.3 m -54.84 154.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 125.976 1.71 . . . . 0.0 113.619 -179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.24 153.7 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 C-N-CA 125.727 1.611 . . . . 0.0 111.623 173.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.53 ' H ' HD12 ' A' ' 103' ' ' ILE . 4.6 mp -69.36 119.93 16.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 C-N-CA 125.071 1.348 . . . . 0.0 108.096 177.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 t -102.81 -11.71 18.12 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.007 0.923 . . . . 0.0 111.411 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -159.42 132.6 7.03 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.371 1.868 . . . . 0.0 108.856 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 107.35 -14.43 39.54 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 124.374 0.988 . . . . 0.0 114.569 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -66.82 -47.5 71.84 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.446 1.898 . . . . 0.0 112.803 171.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -132.85 156.02 47.94 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.079 1.351 . . . . 0.0 112.494 -178.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 27.5 ptm -77.52 157.17 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.055 1.342 . . . . 0.0 113.055 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 56.0 mmm-85 -145.11 159.49 42.89 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.353 1.861 . . . . 0.0 110.852 167.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.91 150.93 47.83 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.823 -0.548 . . . . 0.0 110.649 160.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -119.54 -41.44 2.7 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.513 1.525 . . . . 0.0 112.487 -174.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.8 m -162.89 167.57 22.5 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.414 1.886 . . . . 0.0 110.953 174.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.4 mt -132.27 158.77 40.95 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.243 1.417 . . . . 0.0 109.254 165.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -140.69 145.61 36.73 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.343 1.057 . . . . 0.0 111.663 172.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.3 mtt -124.87 166.69 15.81 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.771 2.029 . . . . 0.0 110.992 -178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 pp -122.87 165.9 15.91 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.684 1.194 . . . . 0.0 112.989 -176.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -148.52 -50.08 0.16 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.956 1.302 . . . . 0.0 113.034 -176.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 N--CA 1.472 0.668 0 C-N-CA 125.491 1.516 . . . . 0.0 112.134 -174.189 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.566 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -61.11 116.91 4.9 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.552 1.541 . . . . 0.0 112.836 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.6 mmm -120.78 87.33 2.73 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 125.736 1.614 . . . . 0.0 110.534 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -55.2 -39.43 69.61 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.058 0.943 . . . . 0.0 112.908 -179.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.81 -16.82 53.07 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 175.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -112.32 -3.19 14.6 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.524 1.53 . . . . 0.0 113.664 173.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -61.06 -57.28 13.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.275 1.03 . . . . 0.0 110.888 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -56.62 -41.89 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 124.086 0.955 . . . . 0.0 112.333 175.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.1 -65.15 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 126.648 1.979 . . . . 0.0 111.871 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -57.47 -39.03 75.49 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.334 1.054 . . . . 0.0 112.3 179.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -59.14 -47.47 85.18 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.077 0.951 . . . . 0.0 111.688 174.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.38 -51.72 65.88 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 124.008 0.923 . . . . 0.0 112.14 176.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.4 mm -54.96 -46.91 76.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 119.107 0.867 . . . . 0.0 111.234 178.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.96 77.87 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.805 0.842 . . . . 0.0 112.942 178.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.55 -47.52 85.16 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.398 1.079 . . . . 0.0 111.962 176.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -48.84 -57.36 6.52 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.707 1.603 . . . . 0.0 111.962 172.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -54.8 -50.81 67.62 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.361 1.064 . . . . 0.0 111.985 176.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.74 -44.28 93.85 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.238 1.015 . . . . 0.0 112.827 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.55 -43.77 96.86 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.238 -0.914 . . . . 0.0 111.577 173.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.47 -46.79 84.54 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.633 0.651 . . . . 0.0 112.623 -178.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -65.85 -32.91 74.7 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 119.53 1.059 . . . . 0.0 113.161 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -72.53 -41.81 65.45 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.536 1.134 . . . . 0.0 110.971 -178.159 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -79.7 -2.96 45.28 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.87 1.668 . . . . 0.0 113.149 172.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 54.7 28.59 10.32 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 127.097 2.159 . . . . 0.0 112.733 -176.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.41 -39.82 45.72 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.791 1.637 . . . . 0.0 112.39 -175.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 42.9 m80 54.25 11.64 0.41 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.529 2.332 . . . . 0.0 116.271 -178.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -146.12 159.61 43.05 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 128.016 2.527 . . . . 0.0 110.309 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 44.9 mt -139.88 133.54 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 108.969 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -87.84 -57.22 3.02 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.749 1.22 . . . . 0.0 110.386 174.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 -156.62 167.36 30.7 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -178.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -129.31 121.67 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 127.317 2.247 . . . . 0.0 110.965 170.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 t -82.53 127.62 39.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 C-N-CA 126.027 1.731 . . . . 0.0 109.468 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.3 t -138.31 119.47 16.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.588 1.155 . . . . 0.0 111.605 -174.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.74 122.94 6.06 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 125.143 1.354 . . . . 0.0 112.565 178.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.8 mt -118.52 125.22 74.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.82 1.648 . . . . 0.0 109.329 175.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.21 140.0 46.31 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 124.086 0.851 . . . . 0.0 113.304 -178.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -67.57 -14.45 62.95 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.412 -1.052 . . . . 0.0 113.188 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -114.85 11.58 16.71 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 127.039 2.136 . . . . 0.0 114.134 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.6 p -64.5 -22.44 66.97 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.9 13.32 1.44 Allowed 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 127.596 2.359 . . . . 0.0 115.052 -171.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 38.8 mtt -75.31 144.95 42.18 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.101 -0.999 . . . . 0.0 111.417 176.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -77.26 90.24 3.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.096 0.958 . . . . 0.0 110.743 172.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -52.18 -38.6 58.25 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.106 1.362 . . . . 0.0 113.445 179.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.8 t -63.17 -48.42 78.47 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 126.322 1.849 . . . . 0.0 112.066 175.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.98 -47.17 86.14 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.018 0.927 . . . . 0.0 110.942 173.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -55.98 -54.83 40.01 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.377 0.671 . . . . 0.0 112.195 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.0 p -59.59 -46.0 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 173.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.5 p -64.93 -29.12 70.04 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.8 -49.92 54.52 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.808 1.243 . . . . 0.0 111.153 170.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -48.65 -58.19 5.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.52 0.728 . . . . 0.0 111.098 171.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -66.23 -21.25 66.29 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -171.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 92.1 m -73.18 -57.07 4.28 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.717 1.607 . . . . 0.0 110.997 168.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -68.77 -9.91 53.58 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.016 1.487 . . . . 0.0 115.016 -178.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -46.79 -37.96 9.43 Favored 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.476 1.489 . . . . 0.0 112.441 171.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -65.3 -9.16 22.01 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 -174.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.96 -22.05 64.06 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.713 0.805 . . . . 0.0 112.481 165.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.7 m -141.27 130.69 23.76 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.966 1.706 . . . . 0.0 112.603 -173.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -61.16 -44.92 96.55 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.472 -1.393 . . . . 0.0 112.806 -176.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.2 m -69.06 -23.14 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.547 1.139 . . . . 0.0 112.894 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 34.1 m -78.18 -23.89 47.44 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 125.843 1.657 . . . . 0.0 112.989 -178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp -66.24 -17.59 64.83 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -85.1 -15.14 44.92 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.816 1.247 . . . . 0.0 113.858 170.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -76.28 155.9 33.91 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.112 1.152 . . . . 0.0 114.112 -170.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 88.7 mt -126.49 149.77 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 127.661 2.384 . . . . 0.0 110.006 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.96 126.61 38.13 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.338 -0.851 . . . . 0.0 110.455 174.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.43 86.01 2.23 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.063 1.345 . . . . 0.0 110.555 175.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 43.0 mt -69.45 133.97 30.96 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.505 1.122 . . . . 0.0 110.274 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 91.2 t -122.23 125.49 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 126.544 1.938 . . . . 0.0 110.002 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -72.37 102.59 3.19 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.976 1.31 . . . . 0.0 111.523 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -84.4 121.69 27.91 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.486 1.114 . . . . 0.0 111.356 179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -59.94 137.24 58.12 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.266 1.026 . . . . 0.0 110.788 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -83.17 159.38 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.921 0.889 . . . . 0.0 111.649 178.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -151.7 135.86 16.67 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.133 0.973 . . . . 0.0 112.39 173.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.89 95.71 5.04 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 127.907 2.483 . . . . 0.0 110.901 -169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -75.69 161.99 28.6 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 129.309 3.044 . . . . 0.0 112.342 169.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 79' ' ' CYS . 7.4 t -101.64 158.06 16.37 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.299 1.44 . . . . 0.0 112.471 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -61.25 -61.9 2.22 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.65 1.58 . . . . 0.0 114.851 -178.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -132.56 60.92 1.68 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.295 1.438 . . . . 0.0 111.069 -171.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.438 ' HB3' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.25 -156.5 0.69 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.438 1.895 . . . . 0.0 111.879 -163.367 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p -145.77 12.8 1.31 Allowed 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 175.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -132.82 140.22 47.87 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.292 1.037 . . . . 0.0 113.618 -176.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.6 p -135.38 138.97 47.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 127.902 2.481 . . . . 0.0 110.007 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -136.31 -174.5 3.71 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.497 1.519 . . . . 0.0 112.995 -174.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.66 145.53 30.28 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.604 1.162 . . . . 0.0 110.701 165.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.79 153.63 43.04 Favored 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.152 2.568 . . . . 0.0 112.399 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -141.27 -166.89 2.28 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.643 2.377 . . . . 0.0 109.257 176.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.5 159.71 4.72 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.253 1.421 . . . . 0.0 113.362 178.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 88' ' ' LEU . 1.4 pt? -58.31 -28.04 64.65 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 115.362 1.615 . . . . 0.0 115.362 -170.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -66.77 -13.01 60.94 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.338 1.055 . . . . 0.0 113.136 176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -123.16 11.5 9.47 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.83 2.052 . . . . 0.0 113.308 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.96 -12.08 74.85 Favored Glycine 0 CA--C 1.541 1.657 0 O-C-N 121.165 -0.959 . . . . 0.0 114.786 -178.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -67.27 151.37 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 125.468 1.507 . . . . 0.0 112.48 170.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.6 t -64.26 137.23 57.83 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.853 0.861 . . . . 0.0 109.991 164.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.72 -19.86 54.52 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.722 1.008 . . . . 0.0 113.722 -175.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -79.63 -55.43 5.03 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.274 1.03 . . . . 0.0 111.527 167.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -119.57 106.61 12.36 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.49 1.516 . . . . 0.0 111.34 -174.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -72.66 69.42 0.89 Allowed 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -163.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -143.39 151.57 40.56 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.231 2.612 . . . . 0.0 110.016 177.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -86.29 17.02 3.93 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.325 1.85 . . . . 0.0 113.749 -174.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -69.69 -4.98 21.97 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.3 1.84 . . . . 0.0 115.682 -174.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 17.4 m -52.11 146.44 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 125.529 1.532 . . . . 0.0 113.587 -178.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.56 152.22 35.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.312 1.845 . . . . 0.0 112.13 -178.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.19 105.1 9.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.548 1.139 . . . . 0.0 108.22 -176.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 11.7 t -88.72 -12.3 42.68 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.908 0.883 . . . . 0.0 112.623 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -155.68 125.61 6.54 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.784 2.034 . . . . 0.0 107.607 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 86.03 7.02 81.27 Favored Glycine 0 CA--C 1.539 1.548 0 C-N-CA 123.909 0.766 . . . . 0.0 114.87 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -65.22 -49.22 70.51 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.711 1.604 . . . . 0.0 111.463 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -131.77 164.38 26.13 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.763 2.025 . . . . 0.0 110.827 177.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.8 ptm -87.56 155.68 19.86 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.11 0.964 . . . . 0.0 112.9 175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -148.26 149.85 32.63 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.335 1.454 . . . . 0.0 111.819 172.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -66.09 151.23 47.35 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.068 0.547 . . . . 0.0 112.083 165.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.2 mp -113.97 -61.53 1.73 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 126.119 1.768 . . . . 0.0 111.041 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.6 m -150.21 167.14 27.79 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.942 1.697 . . . . 0.0 111.559 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -128.63 164.77 22.16 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.418 1.087 . . . . 0.0 111.165 168.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -131.43 140.33 49.6 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.929 1.692 . . . . 0.0 110.527 172.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 63.3 mtt -132.19 120.15 21.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 126.122 1.769 . . . . 0.0 110.268 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp -68.62 121.15 15.84 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.46 1.504 . . . . 0.0 109.606 175.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.09 -24.42 65.95 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -177.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 N--CA 1.47 0.537 0 C-N-CA 124.74 1.216 . . . . 0.0 113.132 -170.471 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.61 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 p -131.98 7.11 4.32 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.492 1.517 . . . . 0.0 114.618 -172.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.8 pmm? -129.77 166.76 19.23 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.371 1.869 . . . . 0.0 112.803 -175.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -124.65 -7.79 7.39 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.34 -42.84 92.44 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.821 -1.174 . . . . 0.0 112.501 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -80.36 1.24 29.68 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 177.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.9 t -57.86 -54.19 49.74 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 119.237 0.926 . . . . 0.0 111.755 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.83 -47.89 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.16 0.584 . . . . 0.0 110.769 174.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.75 -63.05 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.764 1.225 . . . . 0.0 111.153 -172.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 t -55.63 -39.42 70.82 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.599 1.56 . . . . 0.0 112.655 175.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.0 t -59.98 -43.82 94.88 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.121 0.568 . . . . 0.0 112.172 175.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -56.71 -46.7 81.08 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.873 0.869 . . . . 0.0 112.001 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.8 mm -56.13 -51.63 60.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.198 0.599 . . . . 0.0 110.833 176.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.65 -47.52 85.3 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.721 1.208 . . . . 0.0 112.919 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.3 mt -58.32 -51.29 70.42 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.62 1.568 . . . . 0.0 111.597 175.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.4 m -55.54 -49.25 73.15 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.762 0.825 . . . . 0.0 112.64 177.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -55.32 -54.6 41.5 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.822 0.849 . . . . 0.0 111.954 173.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.67 -49.2 78.67 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.326 1.05 . . . . 0.0 113.187 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 60.8 m-70 -61.89 -39.86 93.43 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.205 -0.934 . . . . 0.0 111.808 176.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.98 -41.41 86.87 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.942 0.792 . . . . 0.0 112.824 -178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -31.45 69.74 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 119.912 1.233 . . . . 0.0 113.086 172.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -74.51 -40.08 62.0 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.654 1.182 . . . . 0.0 111.339 -177.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -79.99 -4.6 53.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.568 1.547 . . . . 0.0 113.013 171.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 59.54 26.2 15.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.873 2.069 . . . . 0.0 112.722 -177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.03 -39.53 25.66 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.165 1.786 . . . . 0.0 112.51 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 46.24 32.31 1.45 Allowed 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.658 1.983 . . . . 0.0 114.431 -175.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.51 167.4 9.83 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 128.912 2.885 . . . . 0.0 110.076 176.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.1 mm -126.76 167.82 20.83 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 126.568 1.947 . . . . 0.0 109.081 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.0 tp10 -120.05 -56.68 2.0 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.383 1.473 . . . . 0.0 111.45 164.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -152.47 116.56 4.9 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.884 0.765 . . . . 0.0 111.691 -168.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.5 m -96.26 106.13 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.929 1.291 . . . . 0.0 110.512 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.4 t -85.44 122.17 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.679 1.592 . . . . 0.0 110.015 -175.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -131.82 128.32 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.968 1.307 . . . . 0.0 110.508 -174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -92.19 125.48 8.11 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 124.927 1.251 . . . . 0.0 111.74 178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 12.2 mt -121.96 117.46 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.203 1.401 . . . . 0.0 108.796 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.81 141.13 44.89 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 111.588 -0.605 . . . . 0.0 111.588 176.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -69.39 -9.02 51.65 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.978 -1.307 . . . . 0.0 113.261 -176.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -103.63 8.51 37.52 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.691 1.997 . . . . 0.0 114.084 171.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.3 p -61.08 -27.21 68.19 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.814 1.042 . . . . 0.0 113.814 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.59 18.68 4.81 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.153 2.181 . . . . 0.0 114.765 -170.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 70.9 mtm -103.61 147.5 27.13 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.82 1.248 . . . . 0.0 112.455 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -82.08 114.22 20.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.719 1.208 . . . . 0.0 111.675 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -55.12 -36.94 66.26 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.379 1.072 . . . . 0.0 113.443 173.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 t -62.19 -45.01 95.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.287 1.435 . . . . 0.0 111.461 176.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.1 tp -61.21 -46.62 89.71 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.694 0.797 . . . . 0.0 111.274 174.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.61 -53.57 56.5 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -60.33 -44.14 95.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 CA-C-N 119.112 0.869 . . . . 0.0 112.332 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.3 t -60.21 -34.64 73.93 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 117.65 0.204 . . . . 0.0 111.473 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.65 -46.06 73.52 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.725 0.81 . . . . 0.0 111.693 174.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -56.82 -48.03 78.93 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.457 0.703 . . . . 0.0 111.858 173.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -64.27 -32.01 73.43 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.055 0.942 . . . . 0.0 113.445 178.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.1 m -64.25 -55.08 24.02 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 121.22 -0.925 . . . . 0.0 111.453 168.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -76.19 -7.9 55.86 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 115.365 1.617 . . . . 0.0 115.365 -174.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -53.72 -33.01 54.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 119.903 1.229 . . . . 0.0 113.705 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.75 -30.24 43.47 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.739 2.016 . . . . 0.0 114.104 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -62.25 -21.02 64.85 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 125.088 1.355 . . . . 0.0 114.071 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.3 m -138.83 126.28 21.74 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.207 1.403 . . . . 0.0 112.627 -175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.37 -44.97 80.68 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.576 1.15 . . . . 0.0 111.702 -174.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 4.2 m -66.53 -26.82 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.801 0.84 . . . . 0.0 113.178 -178.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 62.5 m -78.11 -22.78 48.37 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.807 1.243 . . . . 0.0 112.517 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -69.65 -9.95 56.31 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.182 0.993 . . . . 0.0 113.245 175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -125.53 65.73 1.16 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 126.931 2.092 . . . . 0.0 110.041 169.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.47 160.21 40.72 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.054 1.741 . . . . 0.0 111.641 175.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.3 mt -138.98 143.22 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.376 1.87 . . . . 0.0 108.885 178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.79 155.45 37.6 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.11 0.964 . . . . 0.0 112.74 175.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -138.22 89.28 2.38 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.561 1.145 . . . . 0.0 111.236 160.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 67.5 mt -77.02 104.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.568 1.147 . . . . 0.0 110.618 -178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.1 t -81.16 119.68 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 126.127 1.771 . . . . 0.0 109.885 172.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -71.61 110.46 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.597 1.159 . . . . 0.0 110.31 168.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 139.92 36.78 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.711 0.804 . . . . 0.0 112.392 -177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -73.03 167.87 20.21 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.153 0.981 . . . . 0.0 111.81 169.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.424 HG12 ' HA3' ' A' ' 106' ' ' GLY . 4.8 m -122.78 158.98 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.419 1.487 . . . . 0.0 111.063 -175.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -145.33 127.96 16.14 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.416 0.687 . . . . 0.0 112.517 -170.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -108.33 98.95 8.41 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.775 2.03 . . . . 0.0 110.269 -176.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -70.8 147.38 48.98 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.946 2.098 . . . . 0.0 111.34 169.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -73.97 162.74 28.73 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 121.772 0.796 . . . . 0.0 110.993 154.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -61.14 -75.86 0.06 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 126.554 1.942 . . . . 0.0 114.639 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -126.12 61.55 1.27 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.621 1.568 . . . . 0.0 110.0 -169.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -140.27 -153.12 0.45 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.574 1.95 . . . . 0.0 111.273 -161.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.4 p -140.19 3.86 1.99 Allowed 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 115.567 1.691 . . . . 0.0 115.567 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -127.56 153.85 45.88 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.478 1.511 . . . . 0.0 113.202 -174.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.62 154.16 26.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 126.593 1.957 . . . . 0.0 109.942 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -140.38 -178.13 5.35 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.31 1.044 . . . . 0.0 112.964 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.82 140.36 21.13 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 125.542 1.537 . . . . 0.0 111.142 173.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.18 123.57 8.89 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 123.096 2.531 . . . . 0.0 111.57 -173.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -143.15 -68.97 0.34 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.842 1.257 . . . . 0.0 111.091 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.01 165.47 23.4 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.279 1.032 . . . . 0.0 112.23 169.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.75 -66.45 1.07 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.367 1.467 . . . . 0.0 111.547 176.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -66.6 -43.55 84.55 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.025 0.829 . . . . 0.0 111.907 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -82.26 5.39 20.18 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.761 1.625 . . . . 0.0 113.049 172.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -86.99 35.25 3.43 Favored Glycine 0 N--CA 1.471 1.033 0 C-N-CA 126.417 1.961 . . . . 0.0 113.029 -173.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.3 m -77.55 161.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 C-N-CA 126.553 1.941 . . . . 0.0 112.09 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 4.2 t -57.06 128.27 36.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 122.05 0.928 . . . . 0.0 110.812 163.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -67.42 -22.81 65.51 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.917 0.887 . . . . 0.0 112.853 -178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mmmt -83.76 -50.32 8.25 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.301 1.04 . . . . 0.0 111.324 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.6 p -127.92 97.23 4.73 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 126.461 1.904 . . . . 0.0 111.294 -175.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -59.71 67.34 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 127.97 2.508 . . . . 0.0 116.561 -169.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.3 m -140.28 159.08 42.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 128.389 2.676 . . . . 0.0 111.568 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.41 8.92 19.74 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 127.249 2.219 . . . . 0.0 113.873 -176.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -65.61 -7.73 16.56 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.951 2.1 . . . . 0.0 116.192 -172.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.1 m -53.29 150.6 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.927 1.691 . . . . 0.0 114.319 -177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.87 153.41 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.819 1.648 . . . . 0.0 112.912 177.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.427 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.2 mp -78.31 113.55 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 125.412 1.485 . . . . 0.0 107.7 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.2 t -98.35 -11.82 22.11 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.246 1.018 . . . . 0.0 112.062 177.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -154.64 131.08 10.51 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.217 2.207 . . . . 0.0 107.779 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.424 ' HA3' HG12 ' A' ' 72' ' ' VAL . . . 112.73 -5.1 26.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 124.194 0.902 . . . . 0.0 115.251 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -61.47 -30.42 70.59 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.414 1.886 . . . . 0.0 113.371 -175.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -144.05 -178.64 6.04 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.88 2.072 . . . . 0.0 112.101 -169.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -105.5 149.88 25.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.39 1.076 . . . . 0.0 111.039 155.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -149.03 148.97 30.35 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.454 1.502 . . . . 0.0 111.044 175.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.78 158.48 15.64 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.813 -0.554 . . . . 0.0 112.422 167.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -125.86 -57.8 1.42 Allowed 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.222 1.409 . . . . 0.0 111.411 -175.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 25.1 m -150.05 167.81 25.71 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.222 1.409 . . . . 0.0 111.585 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 118.73 12.16 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.07 0.948 . . . . 0.0 110.683 163.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -75.91 147.73 38.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.338 0.655 . . . . 0.0 109.779 170.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 56.0 mtt -137.57 140.15 40.85 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.169 1.788 . . . . 0.0 109.585 176.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.0 mt -137.42 153.74 50.09 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.715 1.206 . . . . 0.0 112.28 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -143.11 -13.36 0.72 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.583 1.553 . . . . 0.0 114.554 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 125.085 1.354 . . . . 0.0 112.579 -179.725 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.432 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 m -66.79 160.24 26.32 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.872 1.269 . . . . 0.0 113.064 178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 36.1 tpp -130.91 -15.08 3.44 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.847 1.259 . . . . 0.0 114.316 -177.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -58.71 -42.55 88.95 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.645 1.178 . . . . 0.0 112.915 -176.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -68.25 -16.49 63.98 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.967 1.307 . . . . 0.0 114.404 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -95.73 -3.51 45.79 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.436 1.095 . . . . 0.0 113.6 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.7 p -54.35 -54.46 40.14 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.165 0.986 . . . . 0.0 111.859 172.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 p -55.79 -47.04 80.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 125.039 1.336 . . . . 0.0 112.171 174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 t -62.88 -55.04 26.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 126.283 1.833 . . . . 0.0 111.83 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -56.31 -44.85 80.32 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.536 1.135 . . . . 0.0 111.519 174.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.4 t -61.83 -46.35 89.88 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.865 0.866 . . . . 0.0 112.279 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.66 -54.83 41.56 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.945 1.698 . . . . 0.0 110.89 176.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 64.1 mt -60.62 -42.36 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.907 0.883 . . . . 0.0 111.796 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.41 -45.03 92.68 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 175.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 62.7 mt -63.77 -45.09 91.33 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.242 1.017 . . . . 0.0 111.896 174.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.0 m -53.05 -52.81 57.31 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.561 1.144 . . . . 0.0 112.554 171.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -51.47 -58.4 6.38 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.133 1.373 . . . . 0.0 111.486 174.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -48.27 82.42 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.832 1.253 . . . . 0.0 113.33 -176.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 30.3 m-70 -64.34 -38.4 90.89 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.306 -0.872 . . . . 0.0 112.023 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.32 -47.37 73.75 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.008 0.822 . . . . 0.0 112.395 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -64.21 -32.95 74.73 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.285 0.948 . . . . 0.0 112.925 174.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -74.31 -38.19 63.4 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.143 0.977 . . . . 0.0 111.38 -178.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -79.96 -2.4 43.77 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.216 1.406 . . . . 0.0 113.151 171.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 56.34 29.15 14.56 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 126.757 2.023 . . . . 0.0 112.373 -177.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.8 -37.71 34.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.96 1.304 . . . . 0.0 112.39 -175.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 53.43 12.87 0.39 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 127.281 2.232 . . . . 0.0 115.743 -176.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -156.84 171.83 19.72 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.626 2.371 . . . . 0.0 111.477 165.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 85.6 mt -132.01 143.87 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.466 1.906 . . . . 0.0 109.004 173.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -83.45 -68.5 0.71 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.874 1.27 . . . . 0.0 109.854 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -139.71 115.03 9.82 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.824 1.65 . . . . 0.0 112.592 -177.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.3 t -65.77 131.2 31.57 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 159.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 30.7 t -105.32 118.91 53.6 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 125.033 1.333 . . . . 0.0 109.413 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.3 t -134.43 129.75 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.109 0.964 . . . . 0.0 111.804 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -97.21 138.63 14.01 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 124.873 1.225 . . . . 0.0 112.893 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.2 mt -127.67 125.74 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.724 1.61 . . . . 0.0 108.629 176.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -67.51 143.84 43.04 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.407 0.527 . . . . 0.0 112.211 -177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.74 -10.85 58.91 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 121.336 -1.097 . . . . 0.0 112.986 -178.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -115.62 8.58 15.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 127.082 2.153 . . . . 0.0 114.17 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -67.89 -13.93 62.55 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 178.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 58.71 -6.12 0.05 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 128.812 2.845 . . . . 0.0 117.48 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 67.9 mtm -72.99 132.56 43.57 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.471 1.509 . . . . 0.0 110.829 172.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -66.37 111.4 3.5 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.802 0.841 . . . . 0.0 110.726 173.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -53.69 -39.68 65.35 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.694 1.198 . . . . 0.0 113.22 178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.22 -41.01 97.99 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.727 1.611 . . . . 0.0 112.281 174.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -64.59 -43.43 93.85 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.48 -0.762 . . . . 0.0 111.722 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.47 -53.17 61.38 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.361 0.982 . . . . 0.0 112.532 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 65' ' ' LEU . 9.7 p -61.32 -44.62 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 118.579 0.627 . . . . 0.0 112.615 177.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -62.02 -32.94 73.48 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.8 -44.23 70.48 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.487 -0.758 . . . . 0.0 111.611 174.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -51.78 -50.73 60.14 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.535 0.734 . . . . 0.0 112.069 169.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -76.63 -16.71 59.49 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.5 m -64.13 -54.95 25.83 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 120.662 -1.274 . . . . 0.0 111.046 164.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -86.19 8.96 19.02 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -176.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -50.51 -30.47 12.95 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 125.026 1.33 . . . . 0.0 113.381 175.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -56.39 -18.68 11.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.534 1.934 . . . . 0.0 114.351 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -64.52 -27.51 69.02 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.218 1.407 . . . . 0.0 113.411 172.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.1 m -153.75 130.48 10.81 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -174.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.63 -31.0 65.82 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.663 1.185 . . . . 0.0 112.771 176.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.2 m -65.24 -27.41 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.387 0.675 . . . . 0.0 112.68 176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 61.0 m -88.41 -35.12 17.28 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.989 1.716 . . . . 0.0 112.521 179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -56.51 -26.07 53.41 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -114.33 1.0 14.31 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 125.249 1.419 . . . . 0.0 113.989 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.25 170.81 9.69 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.754 1.221 . . . . 0.0 113.745 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.7 mt -124.06 158.76 30.18 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.012 2.125 . . . . 0.0 109.384 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.409 ' HB3' HG23 ' A' ' 47' ' ' VAL . 6.0 tt -119.31 102.12 8.47 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.722 1.609 . . . . 0.0 109.885 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -83.62 98.52 9.66 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.95 2.5 . . . . 0.0 111.082 -175.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.5 mt -80.32 134.75 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 C-N-CA 124.914 1.286 . . . . 0.0 111.045 -175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -119.51 132.43 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 126.769 2.027 . . . . 0.0 110.746 178.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.4 110.56 8.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.113 1.365 . . . . 0.0 111.094 173.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -97.98 132.07 43.86 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.229 1.012 . . . . 0.0 110.865 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -79.75 168.85 18.78 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.48 -0.762 . . . . 0.0 112.702 178.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.2 t -121.45 137.42 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.907 1.683 . . . . 0.0 109.829 -174.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -137.98 129.32 27.72 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.882 0.873 . . . . 0.0 111.936 -175.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 21.0 mt -106.38 104.1 13.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.359 1.863 . . . . 0.0 110.939 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -80.26 149.88 30.23 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.447 -0.783 . . . . 0.0 112.393 168.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.439 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.9 t -79.28 150.77 31.43 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.073 0.949 . . . . 0.0 111.681 169.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.7 mmmm -58.95 -59.96 4.62 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 126.665 1.986 . . . . 0.0 114.637 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -131.3 58.79 1.71 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.603 1.561 . . . . 0.0 111.495 -169.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.439 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -143.94 -156.75 0.72 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 126.707 2.003 . . . . 0.0 111.485 -164.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.9 p -145.08 15.37 1.52 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -132.67 152.44 51.69 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.526 1.53 . . . . 0.0 112.452 -175.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.5 m -139.13 150.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 126.534 1.933 . . . . 0.0 110.472 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -143.82 178.05 8.1 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.23 1.012 . . . . 0.0 113.073 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -97.2 142.75 25.01 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.552 1.541 . . . . 0.0 111.865 178.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.27 132.79 37.62 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 122.642 2.228 . . . . 0.0 113.414 -173.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -132.83 -172.78 3.01 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 127.597 2.359 . . . . 0.0 110.046 176.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.0 141.03 51.07 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.932 1.693 . . . . 0.0 113.568 -177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 2.9 pp -58.18 -32.52 68.32 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.835 1.654 . . . . 0.0 115.014 -171.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -67.14 -15.5 63.75 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.252 1.021 . . . . 0.0 112.943 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -122.73 20.24 10.18 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.169 2.188 . . . . 0.0 112.691 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.19 -4.3 67.88 Favored Glycine 0 CA--C 1.535 1.331 0 O-C-N 120.872 -1.143 . . . . 0.0 115.659 -171.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.3 m -62.72 153.0 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.65 1.18 . . . . 0.0 113.265 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.14 144.91 53.73 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.159 1.384 . . . . 0.0 111.214 173.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.39 -39.09 91.78 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.611 0.764 . . . . 0.0 111.814 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -75.31 -55.53 5.61 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.335 1.454 . . . . 0.0 112.268 175.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.6 p -119.0 127.28 53.31 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.424 1.49 . . . . 0.0 112.223 -172.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 19.5 m80 -80.39 63.35 4.83 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.277 -1.514 . . . . 0.0 113.732 -167.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.4 t -144.97 155.31 43.32 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.125 1.77 . . . . 0.0 110.061 169.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -104.09 31.73 4.38 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.875 1.67 . . . . 0.0 112.647 -175.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -67.01 -1.28 3.91 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 128.611 2.765 . . . . 0.0 115.68 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.0 m -58.83 157.65 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 126.019 1.728 . . . . 0.0 113.83 -175.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.9 152.41 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 125.001 1.321 . . . . 0.0 112.795 177.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.545 ' H ' HD12 ' A' ' 103' ' ' ILE . 1.5 mp -73.2 111.71 8.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 C-N-CA 125.31 1.444 . . . . 0.0 108.197 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.3 t -103.6 -5.83 22.28 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.374 1.07 . . . . 0.0 112.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -159.25 130.87 6.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 127.284 2.234 . . . . 0.0 107.467 -175.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 92.35 14.54 55.62 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 115.705 1.042 . . . . 0.0 115.705 172.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -54.95 -45.61 74.9 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.765 1.626 . . . . 0.0 111.815 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -154.9 170.16 22.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 127.573 2.349 . . . . 0.0 111.242 -172.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.4 ppp? -66.25 165.2 14.34 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 113.323 175.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -159.71 145.16 15.58 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 126.1 1.76 . . . . 0.0 111.956 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.39 148.39 50.75 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 121.507 -0.746 . . . . 0.0 110.474 164.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 mp -109.34 -60.15 1.81 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.345 1.458 . . . . 0.0 110.316 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.1 m -152.32 175.37 12.74 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.801 1.641 . . . . 0.0 111.243 -175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 46.3 mt -112.84 169.86 8.61 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.68 1.192 . . . . 0.0 108.915 157.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -135.94 132.37 36.35 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 126.688 1.995 . . . . 0.0 108.126 170.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.0 mtt -131.68 127.64 37.34 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.05 1.34 . . . . 0.0 110.15 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 34.4 mt -135.11 150.1 50.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.117 1.767 . . . . 0.0 110.788 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -70.54 -53.84 14.51 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.123 0.969 . . . . 0.0 111.814 174.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 . . . . . 0 N--CA 1.47 0.526 0 C-N-CA 126.313 1.845 . . . . 0.0 111.527 -178.003 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.686 0 N-CA-C 111.67 -0.572 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -75.4 75.47 2.48 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.874 1.27 . . . . 0.0 112.139 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 36.8 tpp -65.9 141.47 58.23 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.987 1.315 . . . . 0.0 111.635 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -57.32 -48.53 78.73 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 123.683 0.793 . . . . 0.0 112.974 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.14 -17.46 64.49 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -103.95 2.13 32.04 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.397 1.479 . . . . 0.0 113.381 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.6 t -61.08 -57.7 11.45 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.412 1.085 . . . . 0.0 110.202 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -56.73 -46.16 83.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 123.958 0.903 . . . . 0.0 111.856 176.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.7 t -54.36 -57.62 5.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.499 1.519 . . . . 0.0 111.767 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 38.1 t -56.94 -41.07 77.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.375 1.07 . . . . 0.0 112.308 172.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 37.7 m -62.05 -40.87 97.22 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-O 118.163 -0.922 . . . . 0.0 113.124 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.02 -60.01 3.96 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.808 1.185 . . . . 0.0 109.982 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 93.1 mt -52.99 -50.66 43.61 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 C-N-CA 125.755 1.622 . . . . 0.0 111.567 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.88 81.68 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.4 tp -62.55 -44.24 96.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.317 0.962 . . . . 0.0 111.574 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB3' HD11 ' A' ' 28' ' ' ILE . 94.8 m -58.68 -48.68 80.26 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.913 0.885 . . . . 0.0 111.91 173.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -55.66 -50.64 69.69 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.253 0.621 . . . . 0.0 112.129 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -64.7 -37.22 86.84 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 125.119 1.368 . . . . 0.0 113.232 -176.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -70.09 -42.53 72.6 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.349 -0.844 . . . . 0.0 112.408 168.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.9 96.24 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.593 1.088 . . . . 0.0 112.8 -175.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -66.06 -34.44 78.08 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 173.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -78.15 -37.57 45.66 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.773 1.229 . . . . 0.0 111.537 -176.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -79.27 -3.22 44.96 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.174 1.789 . . . . 0.0 112.79 170.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 57.84 25.97 12.67 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.831 2.052 . . . . 0.0 112.709 -178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.35 -39.88 22.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.119 1.768 . . . . 0.0 112.313 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 48.53 26.67 1.23 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.87 2.068 . . . . 0.0 115.081 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -149.79 168.63 23.15 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.97 2.508 . . . . 0.0 111.244 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.416 HD11 ' HB3' ' A' ' 16' ' ' CYS . 69.4 mt -128.67 153.95 38.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 126.936 2.094 . . . . 0.0 108.224 167.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -99.84 -62.47 1.23 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.593 1.157 . . . . 0.0 109.306 161.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -149.5 170.31 18.9 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.755 1.222 . . . . 0.0 113.647 174.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 89.4 t -130.46 110.78 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 127.799 2.44 . . . . 0.0 108.552 177.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.7 t -86.61 120.77 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 C-N-CA 126.251 1.821 . . . . 0.0 110.184 -175.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 55.3 t -127.62 132.67 68.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.473 1.509 . . . . 0.0 110.068 -172.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.29 126.61 8.93 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.785 1.183 . . . . 0.0 111.888 -178.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.6 mt -128.9 119.75 50.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 125.384 1.474 . . . . 0.0 109.72 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -64.6 141.07 43.53 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.805 0.717 . . . . 0.0 112.615 178.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -69.01 -12.08 61.36 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.328 -1.101 . . . . 0.0 113.624 -173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -110.03 7.63 23.71 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.579 1.952 . . . . 0.0 113.963 174.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.1 p -61.06 -25.74 67.15 Favored 'General case' 0 N--CA 1.479 1.0 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 -179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.09 10.64 0.85 Allowed 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 127.709 2.404 . . . . 0.0 115.107 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 74.7 mtm -84.28 141.42 30.97 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.051 0.94 . . . . 0.0 111.077 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 t0 -75.08 100.49 4.23 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.123 0.969 . . . . 0.0 111.501 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -56.78 -38.05 71.96 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 113.865 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -67.82 -40.72 83.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.163 1.385 . . . . 0.0 111.288 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.18 -48.73 79.41 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.808 0.843 . . . . 0.0 110.538 169.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -57.38 -50.35 73.26 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.28 0.946 . . . . 0.0 113.139 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.8 p -63.22 -40.01 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 175.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.7 t -62.85 -30.39 71.47 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.65 -49.11 61.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.549 1.14 . . . . 0.0 111.113 172.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -54.35 -47.81 72.15 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.522 0.729 . . . . 0.0 112.301 172.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -61.18 -40.97 95.91 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.978 1.311 . . . . 0.0 112.66 175.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -60.69 -49.72 76.39 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.866 0.866 . . . . 0.0 111.659 176.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -83.65 2.97 34.97 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -51.1 -31.59 19.71 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 119.782 1.174 . . . . 0.0 113.353 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -60.2 -19.23 53.3 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.421 1.888 . . . . 0.0 114.177 -179.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -69.15 -24.65 64.11 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.805 1.242 . . . . 0.0 113.56 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 75.4 m -139.18 119.21 13.44 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.183 1.393 . . . . 0.0 111.979 -174.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.97 -28.51 57.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.797 1.239 . . . . 0.0 113.904 -178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.6 m -78.94 -20.26 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.084 0.954 . . . . 0.0 113.496 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 69.1 m -89.14 -18.91 26.23 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.768 1.627 . . . . 0.0 113.855 -177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -63.83 -11.18 24.95 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 173.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -134.13 74.16 1.53 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.864 2.065 . . . . 0.0 110.137 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -149.04 170.47 18.3 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.887 1.675 . . . . 0.0 112.583 -176.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.1 mm -134.79 149.24 29.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 127.086 2.155 . . . . 0.0 109.455 175.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 tt -113.5 103.9 11.73 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.238 1.415 . . . . 0.0 109.885 176.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -85.92 91.07 8.25 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.979 1.712 . . . . 0.0 111.49 -175.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 18.3 mt -76.0 101.38 2.5 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.053 -177.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.7 t -78.97 116.53 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.25 1.82 . . . . 0.0 110.206 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -74.91 105.09 5.77 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.585 1.154 . . . . 0.0 110.264 169.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -86.77 149.48 24.82 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.188 0.995 . . . . 0.0 112.662 -179.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -66.11 163.96 16.5 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.605 1.162 . . . . 0.0 111.273 167.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 96.5 t -130.17 142.78 42.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.528 1.531 . . . . 0.0 109.813 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -142.66 141.5 31.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.188 0.995 . . . . 0.0 111.871 -175.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.2 mt -115.14 103.98 11.41 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 127.076 2.15 . . . . 0.0 110.77 -177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -80.63 151.17 29.15 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.641 -0.662 . . . . 0.0 112.239 167.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.43 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 4.7 t -79.01 153.95 29.87 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-O 121.758 0.79 . . . . 0.0 111.436 166.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -62.43 -62.63 1.62 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.754 2.022 . . . . 0.0 114.422 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -128.71 58.09 1.59 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.765 1.626 . . . . 0.0 111.256 -169.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.43 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -142.3 -156.07 0.65 Allowed 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 126.895 2.078 . . . . 0.0 111.425 -164.305 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.1 t -148.5 30.41 0.83 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.812 1.245 . . . . 0.0 112.47 174.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -144.13 149.39 36.44 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.847 1.259 . . . . 0.0 112.676 -172.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.2 m -139.45 152.73 23.37 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 126.499 1.92 . . . . 0.0 110.689 173.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -144.17 -179.96 6.84 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.251 1.421 . . . . 0.0 112.067 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 144.93 29.68 Favored Pre-proline 0 N--CA 1.483 1.209 0 C-N-CA 124.637 1.175 . . . . 0.0 112.305 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.08 121.39 8.01 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 123.175 2.583 . . . . 0.0 113.102 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -139.27 -68.48 0.43 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.402 1.481 . . . . 0.0 111.691 175.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.71 166.6 21.63 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.4 1.08 . . . . 0.0 112.927 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.79 -66.08 0.85 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.6 1.56 . . . . 0.0 112.05 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -66.05 -39.28 90.0 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.219 -0.926 . . . . 0.0 111.808 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -93.97 22.06 6.09 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 127.144 2.178 . . . . 0.0 112.576 174.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -80.41 25.73 3.2 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 126.922 2.201 . . . . 0.0 114.833 -172.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.4 m -65.06 156.4 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 C-N-CA 126.147 1.779 . . . . 0.0 112.683 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.1 t -67.8 144.77 55.2 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.705 1.202 . . . . 0.0 111.372 173.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -63.73 -41.85 97.99 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.647 0.779 . . . . 0.0 111.845 -175.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 49.0 mtpt -74.39 -57.12 4.15 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.488 1.115 . . . . 0.0 112.261 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.7 p -114.76 120.38 39.86 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.878 1.671 . . . . 0.0 111.749 -172.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 7.2 p80 -71.8 55.94 0.28 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.673 2.389 . . . . 0.0 114.457 -171.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.5 t -139.65 156.15 47.0 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.662 1.985 . . . . 0.0 110.565 169.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.76 28.44 6.6 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 126.306 1.842 . . . . 0.0 112.772 -175.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -66.73 -2.03 4.51 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.709 2.404 . . . . 0.0 115.506 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.31 154.7 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.02 1.728 . . . . 0.0 113.78 -174.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.15 153.33 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.098 1.359 . . . . 0.0 113.375 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.518 ' H ' HD12 ' A' ' 103' ' ' ILE . 3.0 mp -75.74 107.42 6.6 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 126.055 1.742 . . . . 0.0 109.173 -177.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 7.5 t -98.36 -6.42 30.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.539 1.136 . . . . 0.0 112.737 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -154.81 127.45 8.02 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 126.719 2.008 . . . . 0.0 107.925 -175.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.84 17.99 79.3 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 123.467 0.556 . . . . 0.0 114.121 -179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -56.85 -40.83 76.83 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.477 1.911 . . . . 0.0 111.561 176.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -140.17 164.98 28.61 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.971 1.708 . . . . 0.0 111.643 172.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -74.18 148.34 41.74 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.343 1.057 . . . . 0.0 111.12 165.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.9 mmp_? -143.96 164.17 31.35 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.793 2.037 . . . . 0.0 111.027 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.67 154.98 34.89 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.595 -0.691 . . . . 0.0 110.948 158.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.3 mt -119.89 -53.96 2.15 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.642 1.177 . . . . 0.0 111.123 172.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.0 p -162.61 173.62 13.68 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.351 1.46 . . . . 0.0 112.101 176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -121.83 165.58 15.67 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.928 1.291 . . . . 0.0 109.076 165.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -132.37 151.29 51.92 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.094 1.757 . . . . 0.0 110.297 167.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 66.4 mtt -126.41 158.19 36.61 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.073 1.749 . . . . 0.0 110.899 175.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 17.6 tp -76.2 99.11 4.61 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.746 1.618 . . . . 0.0 109.749 -179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.44 -20.2 19.27 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.826 1.25 . . . . 0.0 114.216 -177.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.472 0.675 0 C-N-CA 124.495 1.118 . . . . 0.0 112.221 179.368 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.824 -0.51 . . . . 0.0 111.824 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -62.46 101.32 0.23 Allowed 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.056 1.742 . . . . 0.0 113.115 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 45.2 mtt -71.12 26.44 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.778 2.031 . . . . 0.0 114.641 179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -58.46 -27.98 64.89 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.322 -1.486 . . . . 0.0 113.377 -177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -59.1 -22.85 61.48 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.881 1.272 . . . . 0.0 114.309 171.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -103.31 -0.99 29.47 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.011 1.725 . . . . 0.0 113.469 174.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.8 t -61.1 -51.84 67.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.866 0.866 . . . . 0.0 110.682 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.22 -47.16 91.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.084 0.953 . . . . 0.0 111.745 176.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.5 t -54.71 -59.58 2.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.612 1.565 . . . . 0.0 111.575 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.7 t -57.07 -43.35 82.01 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.958 1.303 . . . . 0.0 111.742 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.7 m -61.96 -41.47 98.02 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.428 0.691 . . . . 0.0 112.5 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 tp -63.67 -43.51 96.5 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.066 0.848 . . . . 0.0 112.176 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 68.9 mt -60.08 -50.22 81.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 124.727 1.211 . . . . 0.0 110.245 173.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.42 -48.18 77.5 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.966 0.906 . . . . 0.0 112.774 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.9 mt -59.95 -46.37 89.61 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.205 1.402 . . . . 0.0 112.107 175.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 88.8 m -56.48 -45.86 80.72 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.012 0.824 . . . . 0.0 111.891 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -58.45 -52.47 65.47 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.58 0.752 . . . . 0.0 112.26 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HA ' ' HE2' ' A' ' 21' ' ' LYS . 65.4 mm-40 -57.16 -51.93 67.33 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.773 1.229 . . . . 0.0 112.766 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -62.97 -39.27 94.18 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 121.512 -0.743 . . . . 0.0 111.717 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.94 -43.47 83.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.984 0.811 . . . . 0.0 112.391 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 18' ' ' GLU . 24.4 pttt -70.92 -31.28 67.85 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.528 1.058 . . . . 0.0 113.552 174.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -73.06 -37.11 66.95 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.072 0.949 . . . . 0.0 111.212 -178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -82.77 -5.03 58.72 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.484 1.514 . . . . 0.0 112.983 171.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 58.8 24.57 12.49 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.145 2.178 . . . . 0.0 113.002 -176.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.68 -38.69 58.5 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.165 1.786 . . . . 0.0 112.077 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 51.31 19.12 0.71 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 127.212 2.205 . . . . 0.0 115.542 -178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.1 mttp -153.15 167.08 30.47 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 129.062 2.945 . . . . 0.0 109.933 171.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 34.1 mm -116.92 166.29 11.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.799 0 C-N-CA 126.503 1.921 . . . . 0.0 108.859 168.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -111.53 -66.69 1.06 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.177 1.391 . . . . 0.0 109.424 161.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -139.61 158.92 43.3 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.736 1.614 . . . . 0.0 112.084 -175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.4 p -136.66 110.69 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 127.079 2.152 . . . . 0.0 110.515 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.5 t -86.26 126.24 40.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 126.273 1.829 . . . . 0.0 110.051 -176.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.0 t -133.64 124.44 47.86 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.649 1.579 . . . . 0.0 109.99 -172.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.3 120.89 6.51 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 125.047 1.308 . . . . 0.0 111.054 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 mt -120.01 118.33 56.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 125.198 1.399 . . . . 0.0 108.567 175.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -65.04 152.04 51.24 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 123.69 0.662 . . . . 0.0 113.234 -172.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -77.36 -1.23 28.96 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.443 -1.033 . . . . 0.0 112.917 -170.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -129.93 8.53 5.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.053 2.141 . . . . 0.0 113.592 170.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.7 m -68.89 -16.95 63.9 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -177.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 57.71 3.53 0.21 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 128.361 2.664 . . . . 0.0 117.363 173.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 73.0 mtm -72.56 153.48 41.27 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.676 1.19 . . . . 0.0 111.483 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -79.81 97.26 6.57 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.14 0.976 . . . . 0.0 110.701 178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -57.25 -39.36 75.44 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.398 . . . . 0.0 112.949 179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 50.0 m -61.53 -43.94 97.96 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.678 1.991 . . . . 0.0 112.116 172.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.0 tp -63.0 -41.24 99.53 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.959 0.903 . . . . 0.0 111.523 173.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -57.22 -54.34 47.92 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.583 1.083 . . . . 0.0 112.535 176.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.52 -41.87 93.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 112.785 0.661 . . . . 0.0 112.785 177.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.5 t -60.73 -33.67 73.26 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.83 60.8 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.177 0.991 . . . . 0.0 111.216 173.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 92.7 t80 -52.14 -55.13 22.85 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.108 0.963 . . . . 0.0 111.678 173.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -59.02 -36.98 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.126 1.77 . . . . 0.0 113.265 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.0 m -64.47 -57.98 7.7 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.366 1.066 . . . . 0.0 111.552 176.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -79.77 -6.55 57.51 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -176.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -47.67 -36.64 11.4 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.841 2.456 . . . . 0.0 113.487 -178.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.7 -11.74 19.25 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 115.583 1.697 . . . . 0.0 115.583 -177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -61.32 -22.88 65.3 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 49.6 m -137.15 123.19 20.28 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.866 1.267 . . . . 0.0 112.263 -175.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.89 -35.03 73.99 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.165 0.986 . . . . 0.0 112.846 -176.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.61 -23.04 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.377 1.071 . . . . 0.0 113.022 179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.4 m -82.68 -27.33 31.33 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 125.95 1.7 . . . . 0.0 113.34 -179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mtpp -65.51 -2.68 3.56 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 125.373 1.469 . . . . 0.0 114.834 -177.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -126.51 79.99 1.9 Allowed 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.307 1.843 . . . . 0.0 109.678 169.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.03 164.36 35.73 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.603 1.561 . . . . 0.0 112.102 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.1 mt -136.74 134.89 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 126.189 1.796 . . . . 0.0 109.367 172.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 tt -97.18 102.9 14.77 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.074 1.35 . . . . 0.0 110.816 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -78.49 91.76 4.57 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.607 1.163 . . . . 0.0 111.204 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 49.1 mt -70.41 100.62 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 C-N-CA 124.98 1.312 . . . . 0.0 110.005 172.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 96.7 t -85.08 125.2 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 126.171 1.789 . . . . 0.0 110.095 171.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -69.31 100.29 1.31 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.218 1.007 . . . . 0.0 109.945 166.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 150.78 25.36 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.044 0.938 . . . . 0.0 111.214 -177.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 166.05 22.37 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.497 -0.752 . . . . 0.0 112.649 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 61.5 t -132.68 137.77 53.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 C-N-CA 125.458 1.503 . . . . 0.0 110.603 177.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -143.45 153.65 42.87 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.922 1.289 . . . . 0.0 111.283 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.3 mt -122.31 106.11 10.8 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 127.755 2.422 . . . . 0.0 111.396 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -80.61 154.28 27.51 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.415 -0.803 . . . . 0.0 112.455 166.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 5.3 t -79.12 159.38 27.49 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.872 0.869 . . . . 0.0 111.827 165.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm -63.96 -69.42 0.28 Allowed 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 126.629 1.972 . . . . 0.0 113.885 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -121.83 60.83 0.96 Allowed 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.154 1.781 . . . . 0.0 110.929 -169.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.452 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -147.05 -159.98 1.1 Allowed 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.719 2.408 . . . . 0.0 110.412 -165.568 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 82.0 p -146.04 23.41 1.36 Allowed 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 124.738 1.215 . . . . 0.0 113.928 174.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -131.39 149.87 52.37 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.697 1.599 . . . . 0.0 112.401 -172.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.1 m -137.0 151.51 27.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 126.095 1.758 . . . . 0.0 111.204 172.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -143.76 175.69 9.8 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.267 1.427 . . . . 0.0 112.095 174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 142.54 24.82 Favored Pre-proline 0 N--CA 1.478 0.973 0 O-C-N 120.723 -1.236 . . . . 0.0 112.502 -177.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -71.65 172.2 14.85 Favored 'Trans proline' 0 CA--C 1.542 0.878 0 C-N-CA 123.408 2.739 . . . . 0.0 114.002 -172.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 92.31 -13.71 0.18 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 131.004 3.721 . . . . 0.0 113.696 177.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.79 112.02 3.52 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.045 0.938 . . . . 0.0 111.833 172.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.667 ' H ' HD23 ' A' ' 88' ' ' LEU . 2.3 pt? -90.76 -39.98 12.08 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.085 1.354 . . . . 0.0 113.935 -170.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.09 -18.33 58.07 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.475 0.71 . . . . 0.0 112.712 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -124.76 52.09 1.58 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 127.008 2.123 . . . . 0.0 111.707 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -79.51 -19.64 70.82 Favored Glycine 0 CA--C 1.54 1.608 0 O-C-N 121.343 -0.848 . . . . 0.0 114.82 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.5 m -71.88 163.05 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 125.447 1.499 . . . . 0.0 111.837 167.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 1.9 t -65.1 141.85 58.58 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 122.064 0.935 . . . . 0.0 110.713 170.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -62.86 -39.09 93.33 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.542 0.737 . . . . 0.0 111.828 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -77.76 -57.77 3.63 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.885 1.274 . . . . 0.0 112.524 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 13.8 p -113.16 125.33 54.23 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.339 1.456 . . . . 0.0 111.82 -174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -79.29 60.91 3.23 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.308 -1.495 . . . . 0.0 113.95 -166.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.0 m -139.03 154.87 48.28 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 127.103 2.161 . . . . 0.0 110.613 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -99.29 19.01 16.22 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.844 1.658 . . . . 0.0 113.211 -173.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -68.94 -1.83 8.3 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.931 2.492 . . . . 0.0 115.861 -173.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.0 m -55.83 150.39 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.519 1.528 . . . . 0.0 113.446 -175.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.08 156.87 40.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 125.614 1.566 . . . . 0.0 112.516 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mm -68.17 106.54 1.06 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 C-N-CA 124.971 1.308 . . . . 0.0 109.54 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.5 t -87.7 -12.51 45.14 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 121.653 0.739 . . . . 0.0 112.431 178.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 33.3 tp60 -160.31 125.63 3.94 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.816 2.046 . . . . 0.0 107.765 -168.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.25 18.24 61.1 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 114.938 0.735 . . . . 0.0 114.938 177.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -59.87 -35.76 75.48 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.984 1.314 . . . . 0.0 113.004 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -142.22 164.53 29.91 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.89 1.676 . . . . 0.0 110.954 173.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -69.29 155.21 40.8 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 123.981 0.912 . . . . 0.0 111.322 164.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.0 ptm180 -151.4 160.81 43.57 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.307 1.443 . . . . 0.0 112.191 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -68.82 150.98 47.21 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.766 -0.584 . . . . 0.0 110.703 157.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 95.4 mt -116.66 -51.76 2.57 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.924 1.29 . . . . 0.0 111.56 -177.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.5 t -161.86 169.13 21.84 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.132 1.373 . . . . 0.0 111.34 173.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.6 mt -121.22 166.52 13.87 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.853 1.261 . . . . 0.0 110.899 169.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -133.33 148.95 51.91 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.658 1.583 . . . . 0.0 110.685 168.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 60.7 mtt -137.32 128.47 27.77 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 127.193 2.197 . . . . 0.0 109.73 176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.2 mt -139.97 170.71 15.36 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.996 1.718 . . . . 0.0 111.607 -178.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -119.63 -56.02 2.07 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.716 1.606 . . . . 0.0 111.941 176.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 . . . . . 0 N--CA 1.474 0.747 0 C-N-CA 124.412 1.085 . . . . 0.0 112.073 174.583 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.282 -0.727 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -145.57 114.62 6.99 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.207 1.403 . . . . 0.0 110.915 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 77.9 mtm -140.74 155.0 46.55 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.797 1.639 . . . . 0.0 111.379 178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -100.41 -12.61 19.25 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.452 1.101 . . . . 0.0 113.867 177.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -57.62 -43.52 84.86 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.659 1.183 . . . . 0.0 112.657 -175.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -86.14 -1.66 57.62 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.1 t -62.9 -55.44 26.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.915 0.78 . . . . 0.0 111.153 176.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.0 p -58.12 -41.11 79.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.756 0.822 . . . . 0.0 112.266 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 50' ' ' PHE . 72.1 t -57.78 -65.59 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 126.731 2.013 . . . . 0.0 111.701 176.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.0 t -53.43 -43.08 67.72 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.329 1.051 . . . . 0.0 112.179 177.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t -59.26 -51.94 67.79 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.456 1.102 . . . . 0.0 112.3 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.5 -51.72 68.64 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.309 1.044 . . . . 0.0 112.264 178.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 86.2 mt -54.62 -47.67 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.667 0.787 . . . . 0.0 110.914 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.27 -47.12 85.74 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 123.791 0.836 . . . . 0.0 113.085 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.3 tp -58.93 -48.78 80.27 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.308 1.443 . . . . 0.0 112.156 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 82.7 m -62.85 -41.02 99.2 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.573 1.149 . . . . 0.0 112.408 177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -58.98 -47.36 85.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.918 0.781 . . . . 0.0 111.976 171.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.25 -43.2 96.32 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.798 0.839 . . . . 0.0 112.695 176.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -62.68 -42.77 99.8 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.173 -0.955 . . . . 0.0 112.259 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.41 -43.15 95.29 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.907 0.776 . . . . 0.0 112.664 -176.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -66.6 -32.5 73.88 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.371 0.987 . . . . 0.0 113.076 172.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -74.38 -40.85 61.81 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.541 1.136 . . . . 0.0 111.587 -177.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -76.71 -8.01 56.44 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.428 1.491 . . . . 0.0 112.85 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 57.75 28.82 16.44 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.828 2.051 . . . . 0.0 112.352 -174.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.49 -36.56 71.16 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.441 1.496 . . . . 0.0 112.236 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.7 m80 54.71 10.99 0.4 Allowed 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 127.215 2.206 . . . . 0.0 115.652 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -162.36 178.47 8.63 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 128.695 2.798 . . . . 0.0 110.937 168.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.1 mt -118.8 163.48 15.96 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 126.581 1.952 . . . . 0.0 108.554 175.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -105.24 -62.47 1.34 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.421 1.088 . . . . 0.0 109.559 162.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -155.74 111.99 3.12 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.657 1.183 . . . . 0.0 111.585 -173.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 m -74.65 142.02 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.731 -0.606 . . . . 0.0 109.637 166.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -124.84 125.78 70.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 125.52 1.528 . . . . 0.0 108.805 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 98.5 t -134.4 142.54 40.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.022 1.329 . . . . 0.0 110.69 -169.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -105.28 130.78 10.36 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.458 1.504 . . . . 0.0 111.793 173.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 32.6 mt -123.14 119.9 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.104 1.362 . . . . 0.0 108.825 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.92 142.08 47.89 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 123.717 0.675 . . . . 0.0 112.804 -176.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -71.3 -3.29 19.75 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.306 1.042 . . . . 0.0 113.603 -173.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -123.6 10.51 9.09 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 127.461 2.304 . . . . 0.0 113.692 170.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.5 t -66.68 -15.92 63.85 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 59.78 0.28 0.24 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 128.38 2.672 . . . . 0.0 116.747 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 23.3 ptp -77.1 152.96 34.75 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 119.849 1.204 . . . . 0.0 111.875 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -85.8 101.78 13.11 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.45 1.1 . . . . 0.0 110.889 176.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -51.0 -38.61 52.32 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.185 1.394 . . . . 0.0 113.655 176.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 26.3 t -63.25 -48.12 79.57 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.795 1.638 . . . . 0.0 112.291 174.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.58 -44.42 96.25 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.962 0.905 . . . . 0.0 111.517 175.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -57.02 -57.34 12.99 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.329 1.052 . . . . 0.0 112.804 176.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.9 p -61.2 -44.98 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 119.482 1.037 . . . . 0.0 113.704 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.7 p -66.99 -27.63 67.6 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.94 66.99 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.14 0.976 . . . . 0.0 112.068 168.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HA ' HG13 ' A' ' 9' ' ' VAL . 61.0 t80 -54.35 -47.7 72.27 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.918 0.887 . . . . 0.0 112.506 171.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -63.35 -40.12 96.42 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.733 0.813 . . . . 0.0 112.584 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.3 m -59.4 -46.89 87.42 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 121.028 -1.045 . . . . 0.0 111.826 176.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -82.21 -0.43 45.16 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.955 1.465 . . . . 0.0 114.955 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -57.48 -27.86 62.89 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-N 120.174 1.352 . . . . 0.0 113.394 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -54.83 -19.49 6.6 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.881 2.073 . . . . 0.0 114.332 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -62.85 -33.3 74.97 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.355 1.462 . . . . 0.0 113.43 174.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.7 m -140.04 125.29 18.81 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.565 1.146 . . . . 0.0 112.405 -167.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.24 -35.33 69.56 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.226 1.01 . . . . 0.0 112.774 -175.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 m -64.52 -27.02 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.695 1.198 . . . . 0.0 113.237 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 3.3 t -86.53 -27.79 23.78 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.693 1.597 . . . . 0.0 112.472 -175.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -67.58 -12.26 59.99 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.292 1.437 . . . . 0.0 113.285 177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -131.03 62.81 1.61 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.839 2.055 . . . . 0.0 110.219 172.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.24 170.95 14.74 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.954 1.701 . . . . 0.0 112.481 -178.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.7 mt -135.75 147.64 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 127.302 2.241 . . . . 0.0 108.479 174.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.6 tp -120.92 107.5 12.76 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.606 1.562 . . . . 0.0 110.594 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -96.57 103.07 14.96 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.506 1.922 . . . . 0.0 112.771 -176.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.0 mt -82.2 122.15 36.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 124.025 0.93 . . . . 0.0 111.65 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 82.7 t -95.05 132.62 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 127.533 2.333 . . . . 0.0 109.636 166.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -75.2 101.87 4.79 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.278 1.031 . . . . 0.0 110.425 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.95 144.0 32.19 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.53 1.132 . . . . 0.0 112.188 -175.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 160.62 30.1 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 124.805 1.242 . . . . 0.0 111.722 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.92 143.42 41.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.24 1.416 . . . . 0.0 110.836 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -145.46 144.59 30.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.573 1.149 . . . . 0.0 111.577 -178.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.8 103.92 10.45 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.372 2.269 . . . . 0.0 110.502 -172.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -82.65 152.17 25.97 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.008 0.923 . . . . 0.0 112.708 170.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.428 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 6.8 t -76.46 156.66 32.88 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-O 121.803 0.811 . . . . 0.0 111.718 165.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.8 mmmt -62.14 -62.13 1.99 Allowed 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.686 1.994 . . . . 0.0 114.62 178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -129.67 56.2 1.73 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.566 1.546 . . . . 0.0 111.403 -167.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.428 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.0 OUTLIER -145.22 -159.23 0.98 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.768 2.027 . . . . 0.0 111.444 -162.024 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.1 p -144.32 18.22 1.72 Allowed 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.825 1.25 . . . . 0.0 114.356 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -128.86 149.18 50.87 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.631 1.573 . . . . 0.0 112.343 -177.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 1.3 m -137.77 152.2 26.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.452 1.901 . . . . 0.0 110.232 172.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -140.16 179.82 6.41 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.572 1.149 . . . . 0.0 113.146 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -97.3 144.08 27.28 Favored Pre-proline 0 N--CA 1.477 0.912 0 C-N-CA 125.252 1.421 . . . . 0.0 111.706 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -69.46 178.15 4.67 Favored 'Trans proline' 0 CA--C 1.543 0.928 0 C-N-CA 123.749 2.966 . . . . 0.0 114.167 -175.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 81.17 -5.54 1.63 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 129.271 3.029 . . . . 0.0 114.197 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.47 126.82 30.05 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.123 0.969 . . . . 0.0 111.608 173.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.426 ' H ' HD23 ' A' ' 88' ' ' LEU . 2.5 pt? -119.21 -36.96 3.27 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.169 1.388 . . . . 0.0 113.887 -176.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -82.16 -20.67 37.44 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.213 1.005 . . . . 0.0 112.512 177.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 27.9 p90 -137.44 28.91 2.72 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.416 2.286 . . . . 0.0 112.176 -177.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.29 -3.93 62.78 Favored Glycine 0 CA--C 1.54 1.655 0 C-N-CA 125.354 1.454 . . . . 0.0 116.564 -173.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.9 m -72.04 163.24 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 118.74 1.27 . . . . 0.0 112.513 169.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.6 t -61.78 129.24 40.08 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-O 122.348 1.071 . . . . 0.0 110.443 165.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -65.38 -22.63 66.81 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.914 0.886 . . . . 0.0 112.619 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -83.99 -53.67 5.4 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.326 1.05 . . . . 0.0 112.184 171.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 p -123.26 110.04 14.71 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.367 1.867 . . . . 0.0 111.201 -174.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.474 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 6.5 p80 -64.09 58.89 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.417 2.687 . . . . 0.0 116.197 -171.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.5 m -139.3 163.26 32.95 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.807 2.843 . . . . 0.0 110.366 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -106.47 25.18 11.45 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 125.719 1.607 . . . . 0.0 112.894 -175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -68.56 -2.74 9.58 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 127.535 2.334 . . . . 0.0 115.721 -176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 19.9 m -54.38 153.48 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 126.096 1.758 . . . . 0.0 114.313 -176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.05 155.2 40.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 126.027 1.731 . . . . 0.0 111.956 174.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -76.96 109.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 C-N-CA 124.625 1.17 . . . . 0.0 108.492 -175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 4.8 t -89.87 -9.54 48.61 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.393 1.077 . . . . 0.0 112.893 -177.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 32.3 tp60 -158.81 127.6 5.38 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 126.874 2.07 . . . . 0.0 107.994 -169.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 78.36 16.9 78.83 Favored Glycine 0 CA--C 1.538 1.48 0 N-CA-C 115.666 1.026 . . . . 0.0 115.666 174.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -64.11 -30.12 71.21 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.558 1.143 . . . . 0.0 112.753 177.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -144.98 171.71 14.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 127.068 2.147 . . . . 0.0 111.34 176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -71.01 165.94 22.4 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 174.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -154.87 147.65 24.42 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 126.515 1.926 . . . . 0.0 111.291 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -70.48 153.56 42.81 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.384 -0.822 . . . . 0.0 111.293 163.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mp -114.43 -56.6 2.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.746 1.618 . . . . 0.0 110.904 -178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -159.43 168.98 24.95 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.957 1.303 . . . . 0.0 111.646 175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.6 mt -125.78 110.99 14.36 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.638 1.575 . . . . 0.0 109.443 172.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -78.65 132.13 36.94 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.642 -0.661 . . . . 0.0 109.403 170.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 64.0 mtt -120.68 147.65 44.99 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.393 1.477 . . . . 0.0 111.028 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 2.8 mt -67.88 166.28 15.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.116 0.966 . . . . 0.0 112.176 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 59.72 -18.11 0.03 OUTLIER 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.703 2.801 . . . . 0.0 117.164 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 CA--C 1.539 0.534 0 C-N-CA 125.399 1.48 . . . . 0.0 111.537 179.748 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.538 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -72.33 86.43 1.11 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.908 1.683 . . . . 0.0 112.957 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -141.98 157.97 44.32 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.778 1.631 . . . . 0.0 111.979 174.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -143.14 -2.27 1.02 Allowed 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -59.06 -37.12 76.29 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.289 -1.507 . . . . 0.0 112.836 -176.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -81.3 4.01 22.07 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.389 1.476 . . . . 0.0 114.298 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 p -54.26 -58.22 8.23 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.548 1.139 . . . . 0.0 112.207 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.5 t -56.89 -47.31 83.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.196 0.999 . . . . 0.0 110.958 175.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.9 t -55.13 -61.77 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 124.814 1.246 . . . . 0.0 110.701 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 t -57.86 -42.6 84.81 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.003 1.321 . . . . 0.0 111.855 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.4 t -60.9 -51.11 70.66 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.883 0.873 . . . . 0.0 112.351 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.9 tp -62.11 -45.27 94.24 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.817 0.847 . . . . 0.0 111.753 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.76 -43.29 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 124.203 1.001 . . . . 0.0 111.861 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.84 -44.98 82.64 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.656 0.782 . . . . 0.0 112.079 172.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.0 mt -62.67 -40.82 98.28 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.135 0.974 . . . . 0.0 112.502 173.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.4 m -55.12 -54.17 46.64 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.039 1.291 . . . . 0.0 111.724 171.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -54.36 -49.87 68.8 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.004 1.322 . . . . 0.0 112.045 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -61.96 -51.59 67.46 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.058 1.343 . . . . 0.0 113.041 179.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -59.35 -42.68 92.11 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 121.24 -0.913 . . . . 0.0 112.087 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.0 -45.01 78.88 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.48 -175.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -65.78 -31.57 72.62 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.704 1.138 . . . . 0.0 112.889 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -69.03 -42.75 75.96 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.779 1.232 . . . . 0.0 110.601 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -82.75 -0.38 47.39 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.282 1.433 . . . . 0.0 113.509 175.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 54.85 30.25 13.46 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.856 2.062 . . . . 0.0 112.782 -176.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.36 -39.39 32.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.636 1.574 . . . . 0.0 112.642 -178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 55.84 10.33 0.54 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.455 2.302 . . . . 0.0 116.209 -178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -163.42 173.12 13.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 129.535 3.134 . . . . 0.0 109.808 171.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.3 mm -116.94 166.24 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 125.844 1.657 . . . . 0.0 109.39 -176.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -108.4 -63.08 1.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 120.972 -1.08 . . . . 0.0 109.387 163.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -151.78 105.71 3.15 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.308 1.043 . . . . 0.0 112.561 -175.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 t -64.79 143.97 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 123.961 0.904 . . . . 0.0 109.098 162.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.43 125.11 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 125.494 1.517 . . . . 0.0 108.582 179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.2 p -124.85 144.33 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.333 1.453 . . . . 0.0 110.475 -178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.33 128.75 9.63 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 125.173 1.368 . . . . 0.0 111.408 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -127.83 127.52 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.845 1.258 . . . . 0.0 108.433 173.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.9 143.69 48.87 Favored Glycine 0 CA--C 1.531 1.069 0 C-N-CA 124.229 0.919 . . . . 0.0 113.126 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -67.89 -13.28 62.02 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.428 -1.042 . . . . 0.0 113.104 -176.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -113.43 4.46 16.29 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.328 1.851 . . . . 0.0 114.147 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -65.93 -19.5 65.89 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 171.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 56.55 16.08 2.38 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.495 2.318 . . . . 0.0 115.553 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 64.2 mtt -73.03 141.07 47.67 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.5 1.52 . . . . 0.0 111.385 178.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -75.11 95.23 3.03 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.101 0.961 . . . . 0.0 110.696 170.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -52.83 -37.26 59.81 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 124.508 1.123 . . . . 0.0 113.5 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.7 t -62.92 -40.35 97.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.838 1.655 . . . . 0.0 112.6 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -63.47 -49.81 72.17 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.847 0.859 . . . . 0.0 110.093 172.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.02 -52.09 64.25 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 p -62.6 -41.41 92.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 176.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.4 t -61.6 -32.32 72.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.98 57.25 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.034 0.934 . . . . 0.0 111.575 172.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -52.9 -48.56 67.13 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.364 1.066 . . . . 0.0 112.327 173.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -61.3 -46.26 91.06 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 124.826 1.25 . . . . 0.0 112.177 174.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.9 m -55.2 -38.43 68.38 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.872 -1.143 . . . . 0.0 112.065 177.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -86.25 3.21 44.12 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.242 1.417 . . . . 0.0 114.217 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -55.29 -29.54 58.39 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.431 1.469 . . . . 0.0 113.987 -178.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.78 -16.97 61.14 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.984 1.714 . . . . 0.0 114.37 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -83.83 -7.01 59.55 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 -175.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.8 m -130.72 172.1 12.35 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 127.447 2.299 . . . . 0.0 110.256 173.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -86.56 -55.91 3.66 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.113 -0.992 . . . . 0.0 110.332 -179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.8 m -69.67 -22.27 25.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.193 1.797 . . . . 0.0 112.266 -170.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 8.4 t -78.58 -17.02 56.74 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.424 1.09 . . . . 0.0 112.215 -174.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -28.43 69.93 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.952 0.797 . . . . 0.0 112.558 173.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -114.74 81.49 1.57 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.665 1.586 . . . . 0.0 109.706 172.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -148.43 166.56 27.77 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.18 1.792 . . . . 0.0 112.338 179.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mm -137.42 154.74 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 128.337 2.655 . . . . 0.0 107.518 168.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.8 tt -130.24 127.34 39.41 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.221 1.409 . . . . 0.0 110.783 177.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -117.46 110.17 17.67 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.24 1.816 . . . . 0.0 112.185 -171.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.24 103.41 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.324 1.05 . . . . 0.0 111.594 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.68 124.65 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 126.616 1.966 . . . . 0.0 110.419 166.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.55 100.28 4.52 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.339 1.455 . . . . 0.0 110.959 171.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -79.53 136.78 36.98 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 121.178 -0.951 . . . . 0.0 112.325 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.8 164.62 14.39 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.177 1.391 . . . . 0.0 111.713 169.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.73 150.03 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.643 1.577 . . . . 0.0 112.383 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -148.29 144.67 27.76 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.208 1.003 . . . . 0.0 111.657 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -119.54 110.25 16.67 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.116 2.166 . . . . 0.0 110.461 -172.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -93.35 153.49 18.51 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.722 0.809 . . . . 0.0 112.314 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.451 ' HB3' ' CB ' ' A' ' 79' ' ' CYS . 7.7 t -74.81 155.98 37.0 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.847 0.832 . . . . 0.0 111.616 166.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -58.95 -67.01 0.41 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 127.057 2.143 . . . . 0.0 114.654 178.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -127.04 58.41 1.44 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.697 1.599 . . . . 0.0 110.82 -170.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.451 ' CB ' ' HB3' ' A' ' 76' ' ' CYS . 0.1 OUTLIER -144.04 -157.56 0.8 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.487 1.915 . . . . 0.0 111.238 -163.149 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.4 t -135.48 -2.96 2.41 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 178.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -110.4 155.5 22.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.223 1.409 . . . . 0.0 114.155 -172.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.1 t -144.31 135.92 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 128.172 2.589 . . . . 0.0 109.431 -178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -136.49 177.69 7.65 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.058 1.343 . . . . 0.0 113.246 178.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 143.58 26.35 Favored Pre-proline 0 N--CA 1.479 1.017 0 C-N-CA 125.349 1.46 . . . . 0.0 112.741 178.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -71.82 -177.15 2.37 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.63 2.887 . . . . 0.0 113.639 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 77.59 -10.4 1.36 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 129.274 3.03 . . . . 0.0 114.291 -176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.66 125.19 22.94 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.125 1.37 . . . . 0.0 112.288 173.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.422 ' H ' HD23 ' A' ' 88' ' ' LEU . 2.5 pt? -119.69 -35.48 3.52 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.427 1.491 . . . . 0.0 113.903 -177.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -79.69 -21.04 45.16 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.146 0.978 . . . . 0.0 112.54 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -138.92 32.9 2.18 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.093 2.157 . . . . 0.0 112.48 -177.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.58 -6.11 57.81 Favored Glycine 0 CA--C 1.542 1.729 0 C-N-CA 125.147 1.356 . . . . 0.0 116.41 -174.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.3 m -73.69 161.99 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 0.0 112.681 170.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' CYS . . . . . . . . . . . . . 2.4 t -60.69 131.08 49.59 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 122.312 1.053 . . . . 0.0 110.513 163.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.1 -35.42 76.96 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.252 1.021 . . . . 0.0 111.79 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 25.4 mmmt -78.23 -46.18 21.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.091 0.956 . . . . 0.0 111.904 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.5 p -130.85 107.91 9.46 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.3 1.84 . . . . 0.0 111.33 -177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.459 ' CD2' ' H ' ' A' ' 97' ' ' HIS . 6.2 p80 -64.57 59.17 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.006 2.522 . . . . 0.0 116.55 -169.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -137.59 156.36 48.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 128.637 2.775 . . . . 0.0 110.624 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 44.2 mttp -94.25 22.78 5.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 125.795 1.638 . . . . 0.0 113.693 -176.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -68.4 -0.99 5.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.984 2.113 . . . . 0.0 116.055 -174.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 20.3 m -54.94 153.45 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 125.809 1.644 . . . . 0.0 114.402 -176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.63 153.77 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 126.333 1.853 . . . . 0.0 112.569 176.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.43 108.11 10.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 C-N-CA 125.239 1.416 . . . . 0.0 108.346 -174.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 8.6 t -92.88 -9.04 41.65 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 124.327 1.051 . . . . 0.0 112.864 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 34.5 tp60 -154.95 130.1 9.58 Favored 'General case' 0 C--O 1.232 0.152 0 C-N-CA 126.25 1.82 . . . . 0.0 108.099 -170.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.6 15.72 81.32 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.312 0.958 . . . . 0.0 115.235 177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -71.41 -28.24 63.87 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.315 1.046 . . . . 0.0 112.8 175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -148.88 168.84 21.94 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.661 1.984 . . . . 0.0 111.901 179.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 28.1 ptm -82.05 161.82 22.79 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.757 1.223 . . . . 0.0 113.915 177.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -158.25 155.64 29.27 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.457 1.903 . . . . 0.0 112.055 169.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -65.61 158.11 28.09 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 121.235 -0.916 . . . . 0.0 112.039 167.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.3 -60.49 1.41 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.018 1.327 . . . . 0.0 111.739 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.9 m -145.96 167.5 23.15 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.78 1.232 . . . . 0.0 112.748 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.7 104.57 5.34 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.558 1.543 . . . . 0.0 108.939 168.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -76.33 142.54 41.22 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.621 0.769 . . . . 0.0 110.242 170.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 65.8 mtt -131.1 152.56 50.26 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.618 1.567 . . . . 0.0 110.849 178.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.47 75.56 4.99 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.573 1.149 . . . . 0.0 112.359 -176.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.13 -21.9 61.4 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.994 1.317 . . . . 0.0 113.815 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.678 0 C-N-CA 125.06 1.344 . . . . 0.0 111.873 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_