data_2ruv_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 2ruv _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.77 146.11 54.06 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 111.977 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.76 -10.04 54.51 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.716 1.206 . . . . 0.0 112.728 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.39 -24.39 5.89 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.979 1.311 . . . . 0.0 113.994 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.51 -178.69 6.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.354 1.462 . . . . 0.0 112.586 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -85.62 26.92 0.89 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -84.75 142.78 29.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.281 1.432 . . . . 0.0 112.586 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.1 p -137.99 149.72 46.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.168 1.387 . . . . 0.0 112.124 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -153.91 152.87 31.12 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.579 1.152 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 tp -78.6 -16.42 57.4 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -110.37 135.44 51.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.223 1.409 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -67.4 -31.83 72.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.113 0.965 . . . . 0.0 111.58 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.12 97.95 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.742 0.686 . . . . 0.0 112.07 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -66.6 -36.33 82.35 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.055 0.927 . . . . 0.0 111.893 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.09 -44.11 89.93 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.866 0.757 . . . . 0.0 111.779 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.75 -45.8 91.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.397 0.679 . . . . 0.0 111.633 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.02 -39.21 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.962 0.905 . . . . 0.0 112.001 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -60.63 -52.58 64.53 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.882 0.765 . . . . 0.0 111.285 174.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.48 -46.57 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.316 -0.865 . . . . 0.0 110.861 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.63 -15.31 63.37 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.664 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -118.76 -26.48 6.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.0 t -104.09 -40.25 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.939 . . . . 0.0 112.492 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 . . . . . 0 N--CA 1.477 0.903 0 C-N-CA 124.15 0.98 . . . . 0.0 113.152 -175.526 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.65 147.49 51.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.957 1.303 . . . . 0.0 112.43 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -89.76 -10.17 46.56 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.002 1.321 . . . . 0.0 112.72 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.19 -24.58 6.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.052 1.341 . . . . 0.0 113.892 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.48 -177.75 5.79 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.482 1.513 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -86.17 25.78 1.12 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -83.24 145.02 29.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.496 1.519 . . . . 0.0 112.661 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -139.53 152.61 47.05 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.911 1.284 . . . . 0.0 112.058 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 p -151.08 164.63 36.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.913 1.285 . . . . 0.0 112.756 -177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -81.02 -11.93 59.45 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 m -144.42 148.41 34.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.67 1.188 . . . . 0.0 112.701 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -66.78 -31.07 71.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.142 0.977 . . . . 0.0 113.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.41 -36.28 93.17 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.726 -0.609 . . . . 0.0 112.819 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -69.72 -37.69 76.63 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.745 -0.856 . . . . 0.0 111.314 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.38 -42.97 99.83 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.572 0.749 . . . . 0.0 111.71 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.78 -44.49 96.71 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.015 0.926 . . . . 0.0 111.308 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.77 -40.24 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.037 0.935 . . . . 0.0 112.046 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -59.18 -50.45 73.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.219 0.918 . . . . 0.0 111.336 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.51 -44.21 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.393 -0.817 . . . . 0.0 110.885 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.65 -26.22 67.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.792 1.237 . . . . 0.0 114.286 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -111.95 -28.33 8.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.317 0.962 . . . . 0.0 113.298 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -106.2 -29.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.478 1.111 . . . . 0.0 112.55 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 111.722 -172.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.612 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.0 149.0 50.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.198 1.399 . . . . 0.0 112.342 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -10.66 42.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.004 1.322 . . . . 0.0 112.776 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -118.86 -23.15 7.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.968 1.307 . . . . 0.0 113.899 -170.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -147.88 -177.37 5.69 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.516 1.526 . . . . 0.0 112.497 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.35 26.08 1.11 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.9 140.54 35.27 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.283 1.433 . . . . 0.0 112.342 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -137.27 151.78 49.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.443 1.497 . . . . 0.0 111.848 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.25 164.17 37.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.49 1.116 . . . . 0.0 113.538 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -2.53 58.0 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -175.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -147.71 147.48 29.98 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.656 1.183 . . . . 0.0 112.43 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.62 -26.99 68.64 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.305 1.042 . . . . 0.0 112.195 170.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.0 -37.66 92.23 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.7 0.667 . . . . 0.0 112.699 171.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -68.58 -38.88 81.06 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.823 -0.81 . . . . 0.0 110.979 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.25 -44.9 95.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.685 0.794 . . . . 0.0 111.786 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -58.59 -50.14 74.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.159 0.984 . . . . 0.0 111.329 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.21 -41.01 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-O 118.803 -0.618 . . . . 0.0 111.413 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.97 -49.72 75.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.577 1.081 . . . . 0.0 111.785 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.02 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.561 -0.712 . . . . 0.0 110.94 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.3 -11.62 60.56 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -115.66 -41.65 3.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.131 . . . . 0.0 112.363 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.6 -40.47 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.433 1.093 . . . . 0.0 111.861 -173.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 . . . . . 0 N--CA 1.468 0.475 0 C-N-CA 124.318 1.047 . . . . 0.0 110.313 -176.575 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.97 148.99 47.12 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.116 1.366 . . . . 0.0 111.857 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -93.76 -8.66 40.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.949 1.3 . . . . 0.0 112.696 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -118.73 -20.7 8.17 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.055 1.342 . . . . 0.0 113.727 -169.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.18 -177.55 5.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.047 1.739 . . . . 0.0 112.052 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.1 m -86.48 27.37 0.96 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -78.93 135.87 37.09 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.895 1.278 . . . . 0.0 112.0 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -136.26 153.01 51.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.26 1.424 . . . . 0.0 111.316 171.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -149.83 164.0 36.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.323 1.049 . . . . 0.0 112.992 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.9 tp -94.99 -0.48 53.79 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.198 1.799 . . . . 0.0 113.128 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -129.8 138.33 50.98 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.317 1.447 . . . . 0.0 112.781 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -43.57 95.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.007 1.323 . . . . 0.0 111.661 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.6 97.55 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.766 0.698 . . . . 0.0 112.507 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -66.5 -36.94 83.95 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.996 -0.708 . . . . 0.0 112.147 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.89 -41.88 86.44 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.814 0.734 . . . . 0.0 112.192 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.2 -44.88 96.59 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 111.286 174.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.27 -39.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.266 1.026 . . . . 0.0 111.976 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.67 -53.35 58.46 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.821 0.737 . . . . 0.0 111.52 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.44 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 121.147 -0.971 . . . . 0.0 111.42 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.53 -26.77 68.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.404 1.482 . . . . 0.0 114.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -126.29 -27.84 3.16 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.85 -35.37 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.187 0.995 . . . . 0.0 111.484 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 N--CA 1.474 0.742 0 C-N-CA 124.923 1.289 . . . . 0.0 113.682 -176.082 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.43 147.32 49.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.295 1.438 . . . . 0.0 112.349 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.09 -12.79 40.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.008 1.323 . . . . 0.0 112.631 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -114.23 -22.69 9.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 113.73 -170.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.17 -178.05 6.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.589 1.556 . . . . 0.0 112.443 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -85.19 25.8 0.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -79.23 139.7 37.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 112.079 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.3 p -135.09 153.74 51.92 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.433 1.493 . . . . 0.0 111.523 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -152.95 163.93 38.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.18 0.992 . . . . 0.0 112.415 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -91.3 5.08 50.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.831 1.653 . . . . 0.0 114.558 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 t -142.34 134.57 27.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.908 1.283 . . . . 0.0 112.189 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.46 -26.92 66.62 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.274 1.03 . . . . 0.0 113.158 170.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.16 -43.98 68.81 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.79 0.709 . . . . 0.0 111.917 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -68.34 -33.29 74.03 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.812 -0.817 . . . . 0.0 111.706 174.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.39 -38.46 91.12 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.316 -0.865 . . . . 0.0 112.268 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -62.15 -46.12 90.39 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.27 -0.894 . . . . 0.0 110.925 170.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.7 -37.48 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.459 1.027 . . . . 0.0 112.036 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -60.65 -51.69 68.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.14 0.882 . . . . 0.0 111.887 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.32 -43.0 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.054 -1.029 . . . . 0.0 111.763 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.21 -15.87 63.53 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.478 1.511 . . . . 0.0 114.33 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -118.37 -35.02 3.88 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.325 1.05 . . . . 0.0 113.573 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.5 t -94.13 -40.67 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.172 0.989 . . . . 0.0 112.178 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -172.783 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -70.25 146.7 50.46 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.807 1.243 . . . . 0.0 111.739 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -93.34 -7.91 43.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.811 1.245 . . . . 0.0 112.646 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.75 -20.78 8.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.128 1.371 . . . . 0.0 113.473 -169.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -147.52 -178.99 6.54 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.234 1.813 . . . . 0.0 111.602 173.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -84.59 23.84 1.09 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -77.9 138.99 39.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.16 1.384 . . . . 0.0 112.891 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.0 p -125.82 143.57 51.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.061 1.744 . . . . 0.0 110.336 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -122.88 165.02 17.35 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.31 -13.42 30.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.43 1.492 . . . . 0.0 112.845 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t -153.04 144.39 23.24 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.927 1.291 . . . . 0.0 112.279 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.01 -31.15 71.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.228 1.011 . . . . 0.0 112.431 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.59 79.35 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.642 0.639 . . . . 0.0 112.499 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -72.48 -29.37 63.58 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.619 -0.93 . . . . 0.0 112.291 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.98 -40.09 94.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.159 -0.963 . . . . 0.0 111.943 170.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.05 -43.91 95.04 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.887 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.54 -41.87 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.778 0.717 . . . . 0.0 111.866 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -58.43 -45.63 88.12 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.018 0.827 . . . . 0.0 112.134 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.45 -47.49 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.349 -0.844 . . . . 0.0 111.165 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.16 -17.48 60.38 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.43 1.492 . . . . 0.0 114.196 -170.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtp85 -116.8 6.39 13.18 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.891 1.276 . . . . 0.0 113.174 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.16 -69.64 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.657 1.183 . . . . 0.0 110.419 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -169.679 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.63 146.58 54.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.172 1.389 . . . . 0.0 112.184 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -86.41 -11.56 51.59 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.734 1.213 . . . . 0.0 112.787 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -117.67 -22.89 7.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.894 1.278 . . . . 0.0 113.985 -170.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.27 -179.12 6.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.558 1.543 . . . . 0.0 112.306 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -85.49 21.38 1.8 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -76.2 140.69 41.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.256 1.422 . . . . 0.0 112.259 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 p -127.07 150.44 49.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.378 1.471 . . . . 0.0 111.272 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.64 160.12 41.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -168.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.52 -21.73 32.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.163 . . . . 0.0 113.565 -173.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 p -148.41 160.18 43.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.463 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -63.86 -34.28 77.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.65 0.78 . . . . 0.0 112.257 174.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.02 87.01 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 123.848 0.737 . . . . 0.0 113.042 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.69 -27.62 62.19 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.926 -0.749 . . . . 0.0 111.743 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.13 -37.35 66.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.881 -1.137 . . . . 0.0 112.324 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -58.62 -45.58 88.92 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.403 -0.811 . . . . 0.0 111.478 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.24 -28.59 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.49 1.041 . . . . 0.0 113.082 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -63.91 -51.1 66.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.061 0.846 . . . . 0.0 110.547 168.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.28 -43.76 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.431 -0.793 . . . . 0.0 111.242 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.05 -14.82 63.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.52 1.528 . . . . 0.0 114.098 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.83 -33.56 5.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.777 1.231 . . . . 0.0 113.254 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -101.43 -30.12 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.359 1.063 . . . . 0.0 112.599 -173.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.246 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -71.47 147.48 47.77 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.05 1.34 . . . . 0.0 111.987 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -90.67 -10.66 42.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.942 1.297 . . . . 0.0 112.643 176.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -117.17 -21.2 8.92 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.923 1.289 . . . . 0.0 113.818 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -150.99 -178.0 6.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.749 1.619 . . . . 0.0 112.171 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -84.61 26.45 0.8 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -77.7 138.8 39.26 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.796 1.238 . . . . 0.0 112.001 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -138.35 153.42 48.97 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.037 1.335 . . . . 0.0 111.602 170.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -150.54 156.93 42.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.141 0.977 . . . . 0.0 112.361 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -2.46 40.01 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 169.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.7 t -128.86 132.43 47.75 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.456 1.502 . . . . 0.0 112.465 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -71.1 -23.67 62.16 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 112.95 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.79 -42.55 86.48 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.761 0.696 . . . . 0.0 112.124 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -65.77 -37.34 86.08 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.998 -0.707 . . . . 0.0 111.436 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -64.59 -39.24 93.37 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.658 0.663 . . . . 0.0 112.27 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.65 -44.53 96.79 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.394 -0.816 . . . . 0.0 111.105 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.07 -38.6 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.891 0.876 . . . . 0.0 111.928 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -61.0 -49.73 76.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.56 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.58 -38.74 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 120.983 -1.073 . . . . 0.0 110.963 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.33 -32.56 64.64 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -125.52 -31.52 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -168.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.1 -36.92 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.176 0.591 . . . . 0.0 110.527 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 169.767 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.71 146.68 54.49 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.168 1.387 . . . . 0.0 112.017 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -88.25 -8.8 54.67 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.625 1.17 . . . . 0.0 112.697 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -121.54 -22.78 5.79 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.944 1.297 . . . . 0.0 114.005 -169.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.56 -176.55 5.29 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.474 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.79 25.54 1.26 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -80.29 140.76 36.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.18 1.392 . . . . 0.0 112.288 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -136.02 151.49 49.93 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.2 1.4 . . . . 0.0 111.949 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -153.23 169.27 23.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.865 1.266 . . . . 0.0 112.903 -177.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.63 1.32 57.23 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -174.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -148.26 142.88 26.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.957 0.903 . . . . 0.0 113.162 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -60.18 -29.09 68.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.177 0.991 . . . . 0.0 112.734 169.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.8 -42.96 85.53 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.675 0.655 . . . . 0.0 112.126 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.56 87.06 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.908 -0.76 . . . . 0.0 111.519 174.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.28 -47.52 83.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.678 0.791 . . . . 0.0 111.9 173.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.72 -42.62 99.75 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.696 . . . . 0.0 112.218 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.63 -40.34 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.874 0.87 . . . . 0.0 111.568 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.23 -52.6 64.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.946 0.793 . . . . 0.0 111.5 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -58.55 -49.46 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.565 -0.71 . . . . 0.0 110.726 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.7 -20.09 65.23 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -174.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -104.99 -24.21 12.86 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.047 0.939 . . . . 0.0 113.073 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 t -110.8 -32.2 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.874 0.869 . . . . 0.0 113.214 -171.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -170.012 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.67 140.63 58.89 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.823 0.82 . . . . 0.0 111.469 177.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -84.99 -10.06 57.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.447 1.099 . . . . 0.0 112.741 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -118.96 -22.89 7.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.064 1.345 . . . . 0.0 113.641 -170.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -147.18 -178.16 6.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.792 1.637 . . . . 0.0 111.715 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -86.26 23.85 1.48 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -82.77 139.3 33.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.567 1.147 . . . . 0.0 113.435 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.5 p -142.26 157.82 44.41 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.23 2.212 . . . . 0.0 110.207 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 t -144.73 168.31 20.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.636 0.775 . . . . 0.0 112.419 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.7 tp -73.01 -22.22 60.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.345 1.458 . . . . 0.0 113.003 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 t -137.64 143.2 41.27 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.272 1.429 . . . . 0.0 111.373 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -67.75 -22.67 65.21 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.348 1.059 . . . . 0.0 113.203 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.83 -38.23 94.96 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 119.247 0.931 . . . . 0.0 113.628 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -70.03 -36.47 75.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.764 0.826 . . . . 0.0 111.994 175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.01 -34.96 73.99 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.129 0.972 . . . . 0.0 112.307 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -62.55 -53.9 47.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.293 1.037 . . . . 0.0 110.074 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.45 -28.41 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -58.1 -49.32 77.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 110.94 169.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.03 -42.54 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.056 -1.028 . . . . 0.0 111.428 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.89 -24.44 66.94 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -117.56 -28.79 5.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -98.49 -33.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 112.269 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 -169.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.53 145.93 54.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.681 1.192 . . . . 0.0 111.685 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.38 -8.88 52.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.584 1.154 . . . . 0.0 112.726 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -121.71 -20.01 6.62 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.779 1.232 . . . . 0.0 114.217 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.71 -178.3 6.37 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.547 1.539 . . . . 0.0 112.31 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -84.57 28.27 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.51 141.72 30.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.257 1.423 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.5 p -136.46 147.74 47.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.471 1.508 . . . . 0.0 112.119 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.7 p -152.76 178.23 9.85 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.439 1.496 . . . . 0.0 113.117 -174.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.62 -6.07 34.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.6 p -155.53 162.93 40.59 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.63 -29.53 69.3 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.069 0.947 . . . . 0.0 112.044 169.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -46.77 86.64 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.148 0.88 . . . . 0.0 112.587 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -62.2 -40.21 95.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.211 1.006 . . . . 0.0 111.808 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.68 -44.22 96.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.977 0.911 . . . . 0.0 112.093 175.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.33 -46.42 90.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.876 0.87 . . . . 0.0 111.546 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.05 -40.87 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.634 0.773 . . . . 0.0 111.454 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.97 -49.58 77.11 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.977 0.808 . . . . 0.0 111.88 173.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.5 -43.23 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.396 -0.815 . . . . 0.0 111.285 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -74.81 -1.52 22.54 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -119.37 -37.52 3.16 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.453 -1.405 . . . . 0.0 113.563 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -97.61 -27.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.262 1.025 . . . . 0.0 112.619 -172.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 124.781 1.232 . . . . 0.0 113.298 -170.536 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.683 0 CA-C-O 121.095 0.474 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.3 146.23 54.33 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.217 1.407 . . . . 0.0 112.086 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.74 -9.91 56.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.536 1.134 . . . . 0.0 112.792 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -119.92 -24.31 6.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.857 1.263 . . . . 0.0 113.963 -169.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -147.81 -178.25 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.382 1.473 . . . . 0.0 112.417 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 m -84.24 25.82 0.82 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -81.15 140.81 34.78 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 112.146 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -151.81 151.2 31.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.593 1.557 . . . . 0.0 110.193 170.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 t -147.5 150.64 34.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.971 0.908 . . . . 0.0 112.599 -173.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.68 -29.93 67.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 112.034 171.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -82.81 123.28 29.2 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.937 0.895 . . . . 0.0 111.703 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.8 -16.27 60.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.058 1.343 . . . . 0.0 112.587 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.06 -39.52 8.5 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.947 1.261 . . . . 0.0 112.779 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -62.53 -33.77 75.56 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.194 0.997 . . . . 0.0 111.935 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.63 -39.84 95.1 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.342 0.657 . . . . 0.0 112.451 173.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -67.78 -45.52 74.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.142 0.577 . . . . 0.0 110.751 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.77 -40.91 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.838 0.855 . . . . 0.0 111.547 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.23 -53.3 59.9 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.276 1.031 . . . . 0.0 111.742 174.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.34 -35.9 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.328 -0.858 . . . . 0.0 111.478 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.43 -10.63 59.78 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -122.82 -23.12 5.12 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -100.98 -33.16 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.189 0.996 . . . . 0.0 112.661 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 N--CA 1.471 0.588 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 -169.678 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.84 145.08 51.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.999 1.32 . . . . 0.0 112.324 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -85.58 -10.27 56.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.408 1.083 . . . . 0.0 112.892 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -119.62 -20.27 7.77 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.864 1.265 . . . . 0.0 113.98 -171.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -148.68 177.84 9.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.301 1.44 . . . . 0.0 112.276 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -82.41 28.76 0.45 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.916 1.286 . . . . 0.0 114.418 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -84.65 134.48 34.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.144 1.378 . . . . 0.0 112.557 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -127.87 146.84 50.49 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.452 1.901 . . . . 0.0 108.851 174.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.6 166.9 21.85 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -169.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 tp -80.22 -22.65 41.6 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.303 1.441 . . . . 0.0 113.107 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -141.36 143.67 34.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.064 1.346 . . . . 0.0 111.855 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.63 -29.6 70.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.245 1.018 . . . . 0.0 111.866 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.37 -42.76 89.48 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 123.666 0.651 . . . . 0.0 112.466 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.6 -36.01 80.06 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.651 -0.911 . . . . 0.0 111.805 174.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.43 -38.79 92.25 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.56 -0.713 . . . . 0.0 112.321 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.42 -42.2 98.36 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.268 -0.895 . . . . 0.0 111.437 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.14 -38.0 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.776 0.83 . . . . 0.0 112.017 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.66 -52.85 63.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.145 0.884 . . . . 0.0 111.248 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -37.43 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.37 -0.831 . . . . 0.0 111.459 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.8 -24.87 64.45 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.884 1.274 . . . . 0.0 114.063 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -118.39 -30.71 5.15 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.56 -18.81 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.308 1.043 . . . . 0.0 112.666 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 125.266 1.426 . . . . 0.0 111.13 -173.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -69.99 147.92 49.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.119 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.25 -9.82 43.79 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.876 1.27 . . . . 0.0 112.727 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -118.13 -23.06 7.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.042 1.337 . . . . 0.0 113.736 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -146.97 -178.59 6.28 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.799 1.64 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 p -84.7 22.51 1.32 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -77.01 138.6 39.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.346 1.458 . . . . 0.0 112.452 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -130.45 152.85 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.696 1.598 . . . . 0.0 111.006 172.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -142.43 161.54 37.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.106 0.962 . . . . 0.0 113.376 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.89 -4.65 54.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 114.317 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 t -149.82 138.24 20.65 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.014 1.326 . . . . 0.0 112.106 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -63.86 -38.09 89.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 112.079 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.34 93.23 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.946 0.784 . . . . 0.0 112.616 177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -72.65 -33.97 66.95 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.678 -0.895 . . . . 0.0 112.06 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.41 -40.08 92.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.324 -0.86 . . . . 0.0 111.924 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.29 -43.44 96.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.411 -0.806 . . . . 0.0 111.155 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.48 -44.08 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.074 0.852 . . . . 0.0 111.481 172.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -56.09 -52.18 65.23 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.795 1.179 . . . . 0.0 111.601 175.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.12 -45.52 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.508 -0.745 . . . . 0.0 111.334 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.48 -17.29 61.25 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -102.36 -36.1 8.58 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.029 1.332 . . . . 0.0 111.616 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -106.47 -30.75 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.749 1.22 . . . . 0.0 112.772 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 125.024 1.33 . . . . 0.0 112.208 -172.704 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.81 147.45 51.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 112.062 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.69 -9.65 55.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.826 1.25 . . . . 0.0 113.119 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -123.0 -18.95 6.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 p -148.28 176.83 9.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.227 1.411 . . . . 0.0 112.371 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -81.76 26.41 0.5 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -81.7 135.47 35.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.225 1.41 . . . . 0.0 111.825 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -119.77 145.24 46.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.989 1.315 . . . . 0.0 110.746 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -131.55 153.94 49.34 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -167.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 tp -81.53 -26.21 35.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.443 1.497 . . . . 0.0 113.291 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.1 p -145.44 157.44 44.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.161 0.984 . . . . 0.0 113.143 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.09 -35.23 79.95 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.727 0.811 . . . . 0.0 112.048 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.08 -43.46 95.67 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.65 0.643 . . . . 0.0 112.984 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.08 -32.38 71.78 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 122.025 -0.691 . . . . 0.0 111.63 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -71.08 -38.72 72.43 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.969 -1.082 . . . . 0.0 112.726 173.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.31 -44.16 97.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 112.026 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.34 -30.23 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.04 0.836 . . . . 0.0 112.704 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.84 -53.09 61.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.159 0.89 . . . . 0.0 110.533 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.45 -41.86 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.526 -0.734 . . . . 0.0 111.57 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.17 -25.59 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.95 -27.31 8.85 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.174 0.897 . . . . 0.0 113.167 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -90.25 -62.06 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.71 0.804 . . . . 0.0 110.945 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.072 1.349 . . . . 0.0 114.191 -168.494 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.86 149.03 49.39 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.201 1.4 . . . . 0.0 112.454 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.33 -10.49 43.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.968 1.307 . . . . 0.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -118.77 -23.19 7.09 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.326 . . . . 0.0 113.81 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -147.39 -177.31 5.62 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.641 1.576 . . . . 0.0 112.344 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -85.91 22.11 1.77 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.8 137.94 42.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.2 1.4 . . . . 0.0 112.123 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.1 p -136.36 151.98 50.15 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.538 1.535 . . . . 0.0 111.343 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.4 p -151.36 169.1 22.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.3 tp -90.82 -7.53 52.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.556 1.542 . . . . 0.0 113.906 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -145.62 142.53 29.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.349 1.06 . . . . 0.0 112.962 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -61.38 -27.02 68.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.357 1.063 . . . . 0.0 112.55 171.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.36 97.4 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.485 0.584 . . . . 0.0 112.328 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -68.35 -36.43 79.21 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.831 -0.805 . . . . 0.0 111.71 175.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.82 -44.57 96.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.766 0.826 . . . . 0.0 112.099 172.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -62.0 -48.4 80.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.26 -38.47 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.356 1.062 . . . . 0.0 112.341 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.22 -56.53 20.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.759 0.824 . . . . 0.0 111.192 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 123.803 0.841 . . . . 0.0 111.438 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.49 -27.28 69.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.723 1.209 . . . . 0.0 113.746 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -110.29 -27.59 9.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -169.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.56 -17.54 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -173.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 179.283 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.806 0 CA-C-O 120.012 -0.042 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.16 141.71 53.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.775 0.797 . . . . 0.0 111.626 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.1 -10.33 55.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.347 1.059 . . . . 0.0 113.017 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -124.2 -16.7 6.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.02 -178.61 6.29 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.306 1.442 . . . . 0.0 111.919 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 p -85.88 23.04 1.53 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -80.81 141.32 34.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.837 1.255 . . . . 0.0 113.219 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -140.8 148.14 40.14 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.573 1.949 . . . . 0.0 110.839 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.21 152.39 43.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.367 1.067 . . . . 0.0 110.92 173.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.85 -41.33 78.6 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.941 0.896 . . . . 0.0 110.822 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.8 t -77.06 112.5 13.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.513 0.725 . . . . 0.0 110.464 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -74.91 -19.45 60.13 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.87 -0.519 . . . . 0.0 112.291 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.96 80.53 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.022 0.82 . . . . 0.0 111.732 168.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -66.58 -36.6 83.02 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.518 -0.989 . . . . 0.0 112.004 172.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.49 -40.28 92.91 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.474 -0.766 . . . . 0.0 112.608 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.53 -43.57 93.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.791 0.837 . . . . 0.0 111.408 172.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.14 -43.99 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.006 -0.997 . . . . 0.0 111.413 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -54.55 -50.05 68.85 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.422 1.464 . . . . 0.0 111.732 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.8 -41.8 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.684 -0.635 . . . . 0.0 110.968 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -80.16 -10.71 59.77 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -114.81 -35.13 4.91 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.124 1.37 . . . . 0.0 113.145 -174.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.76 -31.56 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.592 1.157 . . . . 0.0 112.044 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 124.744 1.218 . . . . 0.0 113.584 -172.781 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -59.94 142.2 54.15 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.979 0.895 . . . . 0.0 112.112 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -89.18 -10.95 45.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.007 1.323 . . . . 0.0 112.73 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -116.3 -22.28 8.91 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.048 1.339 . . . . 0.0 113.652 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -147.43 175.75 10.56 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.594 1.557 . . . . 0.0 112.268 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -82.54 36.41 0.48 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.125 1.37 . . . . 0.0 114.102 -173.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -102.85 141.74 35.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 114.645 -169.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -144.99 153.53 41.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.687 2.395 . . . . 0.0 110.842 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -140.06 177.89 7.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.282 1.433 . . . . 0.0 110.791 169.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -84.16 -24.14 30.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 m -88.28 149.97 23.51 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.082 0.953 . . . . 0.0 113.059 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.21 -35.04 77.66 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.11 -3.33 73.12 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.388 1.47 . . . . 0.0 115.983 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -58.23 -37.34 74.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.434 1.617 . . . . 0.0 113.867 -168.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.2 -39.1 89.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.853 0.861 . . . . 0.0 112.317 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.15 -47.79 82.96 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.455 0.702 . . . . 0.0 110.859 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.54 -41.57 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.069 0.548 . . . . 0.0 111.032 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.39 -47.1 86.74 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.894 0.77 . . . . 0.0 112.355 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.28 -41.96 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.285 -0.884 . . . . 0.0 110.808 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -76.73 -1.0 25.78 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -130.61 -38.52 1.32 Allowed 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.728 -1.233 . . . . 0.0 114.24 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.4 t -96.61 -38.68 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.517 1.127 . . . . 0.0 111.771 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -176.737 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -67.33 146.57 53.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.524 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.83 -11.81 56.48 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.942 1.297 . . . . 0.0 112.884 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -120.2 -21.66 6.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.616 1.167 . . . . 0.0 113.895 -169.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -149.53 -176.32 5.35 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.642 1.577 . . . . 0.0 112.309 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 p -86.36 21.84 1.98 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -76.24 145.49 39.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.014 1.325 . . . . 0.0 112.475 174.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 m -136.39 143.15 43.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.525 1.53 . . . . 0.0 109.403 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.04 159.66 14.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.06 0.944 . . . . 0.0 113.314 -173.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -81.15 -16.51 52.75 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 169.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -165.06 144.38 6.77 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 128.188 2.595 . . . . 0.0 108.45 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -54.46 -26.06 28.82 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.77 -35.05 80.23 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.469 -0.77 . . . . 0.0 113.668 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.04 -25.71 47.98 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.33 1.065 . . . . 0.0 112.125 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.39 -38.36 87.36 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 120.834 -1.166 . . . . 0.0 111.72 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.95 -43.3 98.89 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.658 -0.651 . . . . 0.0 111.499 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.88 -41.75 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.929 0.891 . . . . 0.0 111.671 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -58.62 -49.72 76.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.629 0.772 . . . . 0.0 111.549 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.32 -41.75 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.612 -0.68 . . . . 0.0 111.132 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.58 1.18 20.37 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -125.74 -44.36 1.81 Allowed 'General case' 0 N--CA 1.481 1.098 0 O-C-N 120.432 -1.418 . . . . 0.0 113.718 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -83.78 -30.22 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.096 0.958 . . . . 0.0 111.756 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 125.688 1.595 . . . . 0.0 111.805 -179.288 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -67.94 150.36 48.61 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.638 1.575 . . . . 0.0 112.727 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -94.99 -9.05 35.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.29 1.436 . . . . 0.0 112.74 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.14 -20.06 9.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.305 1.442 . . . . 0.0 113.644 -171.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.3 -178.57 6.59 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.864 1.666 . . . . 0.0 112.055 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -84.97 28.04 0.72 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -81.6 135.64 35.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.377 1.471 . . . . 0.0 112.708 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.1 m -111.59 147.16 36.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.778 1.631 . . . . 0.0 109.736 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 t -131.82 160.36 35.84 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.246 1.418 . . . . 0.0 113.019 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -83.4 -25.13 31.58 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.892 1.277 . . . . 0.0 113.217 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -154.52 148.8 26.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.996 1.319 . . . . 0.0 111.687 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -56.41 -34.85 67.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.204 1.002 . . . . 0.0 112.109 169.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.28 73.65 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.252 0.929 . . . . 0.0 114.236 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.95 -35.06 14.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.514 1.126 . . . . 0.0 111.389 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.68 -35.08 76.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.181 0.992 . . . . 0.0 112.007 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -54.31 -41.29 68.81 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.755 1.222 . . . . 0.0 112.208 170.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.75 -39.6 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.716 0.806 . . . . 0.0 111.093 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.82 -44.33 97.06 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.229 -0.919 . . . . 0.0 111.982 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.99 -27.19 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 120.933 -1.105 . . . . 0.0 112.325 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -102.23 -23.85 13.97 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -118.61 -44.56 2.64 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.222 1.409 . . . . 0.0 112.578 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.6 t -71.92 -52.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 167.189 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -68.4 152.87 44.79 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.587 1.155 . . . . 0.0 113.231 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 p -75.47 -12.39 60.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.918 1.287 . . . . 0.0 114.381 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.03 162.56 30.97 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.97 1.748 . . . . 0.0 112.269 174.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -156.68 159.85 38.79 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.873 1.269 . . . . 0.0 112.52 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 m -79.7 -44.44 20.81 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.436 0.694 . . . . 0.0 111.839 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.66 -127.95 31.73 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.409 1.004 . . . . 0.0 113.007 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -112.05 22.49 14.77 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.347 1.459 . . . . 0.0 111.745 169.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -84.31 155.92 22.16 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.654 1.582 . . . . 0.0 111.752 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -83.85 156.64 22.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.97 1.308 . . . . 0.0 111.075 173.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.85 148.31 52.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.453 1.101 . . . . 0.0 112.871 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.77 146.11 54.06 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 111.977 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.76 -10.04 54.51 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.716 1.206 . . . . 0.0 112.728 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.39 -24.39 5.89 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.979 1.311 . . . . 0.0 113.994 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.51 -178.69 6.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.354 1.462 . . . . 0.0 112.586 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -85.62 26.92 0.89 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -84.75 142.78 29.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.281 1.432 . . . . 0.0 112.586 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.1 p -137.99 149.72 46.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.168 1.387 . . . . 0.0 112.124 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -153.91 152.87 31.12 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.579 1.152 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 tp -78.6 -16.42 57.4 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -110.37 135.44 51.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.223 1.409 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -67.4 -31.83 72.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.113 0.965 . . . . 0.0 111.58 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.12 97.95 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.742 0.686 . . . . 0.0 112.07 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -66.6 -36.33 82.35 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.055 0.927 . . . . 0.0 111.893 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.09 -44.11 89.93 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.866 0.757 . . . . 0.0 111.779 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.75 -45.8 91.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.397 0.679 . . . . 0.0 111.633 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.02 -39.21 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.962 0.905 . . . . 0.0 112.001 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -60.63 -52.58 64.53 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.882 0.765 . . . . 0.0 111.285 174.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.48 -46.57 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.316 -0.865 . . . . 0.0 110.861 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.63 -15.31 63.37 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.664 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -118.76 -26.48 6.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.0 t -104.09 -40.25 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.939 . . . . 0.0 112.492 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -110.15 -24.59 10.64 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.15 0.98 . . . . 0.0 113.152 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -122.49 174.29 7.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.758 2.823 . . . . 0.0 108.306 168.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -137.38 156.42 48.23 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.84 1.256 . . . . 0.0 111.944 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.28 134.54 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.361 1.065 . . . . 0.0 109.666 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.924 1.69 . . . . 0.0 111.33 178.149 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -147.14 163.56 35.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.467 1.507 . . . . 0.0 112.278 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -148.31 156.86 43.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.941 1.296 . . . . 0.0 112.389 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.23 -16.79 6.93 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.298 1.428 . . . . 0.0 115.957 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -60.4 129.86 43.74 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.819 1.309 . . . . 0.0 111.925 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m 53.8 28.0 7.76 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.475 1.51 . . . . 0.0 114.782 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.2 154.02 51.72 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.573 1.082 . . . . 0.0 114.248 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.44 2.02 38.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.859 1.664 . . . . 0.0 114.398 -175.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -67.82 156.13 37.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.035 1.334 . . . . 0.0 113.29 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -102.61 156.03 17.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.171 2.189 . . . . 0.0 110.582 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.32 147.25 49.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.397 1.079 . . . . 0.0 112.887 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.65 147.49 51.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.957 1.303 . . . . 0.0 112.43 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -89.76 -10.17 46.56 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.002 1.321 . . . . 0.0 112.72 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.19 -24.58 6.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.052 1.341 . . . . 0.0 113.892 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.48 -177.75 5.79 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.482 1.513 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -86.17 25.78 1.12 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -83.24 145.02 29.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.496 1.519 . . . . 0.0 112.661 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -139.53 152.61 47.05 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.911 1.284 . . . . 0.0 112.058 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 p -151.08 164.63 36.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.913 1.285 . . . . 0.0 112.756 -177.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -81.02 -11.93 59.45 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 m -144.42 148.41 34.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.67 1.188 . . . . 0.0 112.701 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -66.78 -31.07 71.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.142 0.977 . . . . 0.0 113.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.41 -36.28 93.17 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.726 -0.609 . . . . 0.0 112.819 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -69.72 -37.69 76.63 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.745 -0.856 . . . . 0.0 111.314 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.38 -42.97 99.83 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.572 0.749 . . . . 0.0 111.71 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.78 -44.49 96.71 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.015 0.926 . . . . 0.0 111.308 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.77 -40.24 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.037 0.935 . . . . 0.0 112.046 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -59.18 -50.45 73.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.219 0.918 . . . . 0.0 111.336 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.51 -44.21 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.393 -0.817 . . . . 0.0 110.885 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.65 -26.22 67.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.792 1.237 . . . . 0.0 114.286 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -111.95 -28.33 8.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.317 0.962 . . . . 0.0 113.298 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -106.2 -29.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.478 1.111 . . . . 0.0 112.55 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -124.92 61.73 1.17 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 111.722 -172.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -55.8 136.93 50.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.015 1.326 . . . . 0.0 111.64 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -77.3 151.94 34.77 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.434 1.093 . . . . 0.0 112.276 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 pt -111.31 2.56 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 125.48 1.512 . . . . 0.0 114.108 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.785 1.634 . . . . 0.0 112.166 179.55 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -80.36 -13.41 59.19 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -146.3 162.88 37.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.892 1.677 . . . . 0.0 111.93 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.14 -38.46 1.14 Allowed Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.879 1.704 . . . . 0.0 115.667 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -135.21 24.47 3.53 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.249 1.82 . . . . 0.0 112.164 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -78.09 -13.07 60.01 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.546 1.538 . . . . 0.0 114.559 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.66 167.02 39.49 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.268 1.413 . . . . 0.0 112.957 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -149.09 144.54 26.73 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.963 1.305 . . . . 0.0 111.516 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -133.53 161.41 34.67 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.036 1.734 . . . . 0.0 111.335 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -126.08 155.12 42.08 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.321 1.848 . . . . 0.0 111.037 -170.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.19 146.55 40.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.426 1.09 . . . . 0.0 113.086 -173.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.0 149.0 50.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.198 1.399 . . . . 0.0 112.342 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -10.66 42.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.004 1.322 . . . . 0.0 112.776 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -118.86 -23.15 7.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.968 1.307 . . . . 0.0 113.899 -170.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -147.88 -177.37 5.69 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.516 1.526 . . . . 0.0 112.497 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.35 26.08 1.11 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.9 140.54 35.27 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.283 1.433 . . . . 0.0 112.342 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -137.27 151.78 49.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.443 1.497 . . . . 0.0 111.848 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.25 164.17 37.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.49 1.116 . . . . 0.0 113.538 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.95 -2.53 58.0 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -175.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -147.71 147.48 29.98 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.656 1.183 . . . . 0.0 112.43 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.62 -26.99 68.64 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.305 1.042 . . . . 0.0 112.195 170.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.0 -37.66 92.23 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.7 0.667 . . . . 0.0 112.699 171.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -68.58 -38.88 81.06 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.823 -0.81 . . . . 0.0 110.979 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.25 -44.9 95.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.685 0.794 . . . . 0.0 111.786 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -58.59 -50.14 74.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.159 0.984 . . . . 0.0 111.329 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.21 -41.01 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-O 118.803 -0.618 . . . . 0.0 111.413 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.97 -49.72 75.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.577 1.081 . . . . 0.0 111.785 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.02 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.561 -0.712 . . . . 0.0 110.94 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.3 -11.62 60.56 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -115.66 -41.65 3.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.131 . . . . 0.0 112.363 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.6 -40.47 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.433 1.093 . . . . 0.0 111.861 -173.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -101.54 81.11 2.14 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.318 1.047 . . . . 0.0 110.313 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -74.3 48.74 0.34 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.141 2.176 . . . . 0.0 114.334 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -81.52 -11.44 59.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.385 1.874 . . . . 0.0 113.727 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt -64.83 150.78 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 125.661 1.585 . . . . 0.0 112.457 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 pttp . . . . . 0 C--O 1.253 1.238 0 C-N-CA 126.222 1.809 . . . . 0.0 113.257 -179.15 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -81.05 -178.29 6.83 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.074 1.349 . . . . 0.0 112.559 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -61.23 -14.16 23.79 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 1.99 83.07 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.524 1.535 . . . . 0.0 115.323 171.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.1 m -62.63 152.72 34.37 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.04 1.42 . . . . 0.0 113.328 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.255 87.7 p 47.58 -90.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.938 2.495 . . . . 0.0 116.387 173.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.95 -169.74 55.03 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.02 1.295 . . . . 0.0 113.015 -169.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -147.18 148.05 31.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.092 0.957 . . . . 0.0 112.637 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -145.1 140.71 28.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.883 1.673 . . . . 0.0 109.853 169.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -80.43 130.34 35.1 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.292 0.637 . . . . 0.0 110.896 -169.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.46 146.18 39.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.503 1.121 . . . . 0.0 113.075 -172.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.97 148.99 47.12 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.116 1.366 . . . . 0.0 111.857 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -93.76 -8.66 40.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.949 1.3 . . . . 0.0 112.696 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -118.73 -20.7 8.17 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.055 1.342 . . . . 0.0 113.727 -169.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.18 -177.55 5.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.047 1.739 . . . . 0.0 112.052 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.1 m -86.48 27.37 0.96 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -78.93 135.87 37.09 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.895 1.278 . . . . 0.0 112.0 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -136.26 153.01 51.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.26 1.424 . . . . 0.0 111.316 171.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -149.83 164.0 36.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.323 1.049 . . . . 0.0 112.992 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.9 tp -94.99 -0.48 53.79 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.198 1.799 . . . . 0.0 113.128 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -129.8 138.33 50.98 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.317 1.447 . . . . 0.0 112.781 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -43.57 95.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.007 1.323 . . . . 0.0 111.661 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.6 97.55 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.766 0.698 . . . . 0.0 112.507 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -66.5 -36.94 83.95 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.996 -0.708 . . . . 0.0 112.147 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.89 -41.88 86.44 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.814 0.734 . . . . 0.0 112.192 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.2 -44.88 96.59 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 111.286 174.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.27 -39.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.266 1.026 . . . . 0.0 111.976 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.67 -53.35 58.46 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.821 0.737 . . . . 0.0 111.52 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.44 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 121.147 -0.971 . . . . 0.0 111.42 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.53 -26.77 68.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.404 1.482 . . . . 0.0 114.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -126.29 -27.84 3.16 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.85 -35.37 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.187 0.995 . . . . 0.0 111.484 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -111.29 20.86 16.9 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.923 1.289 . . . . 0.0 113.682 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -59.95 -13.63 12.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.275 1.83 . . . . 0.0 115.873 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -77.03 -11.5 59.81 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.702 1.601 . . . . 0.0 115.245 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.0 pt -69.02 156.51 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.907 0.883 . . . . 0.0 113.056 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt . . . . . 0 C--O 1.254 1.311 0 C-N-CA 127.354 2.262 . . . . 0.0 113.428 -178.75 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -66.03 145.21 56.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.404 1.082 . . . . 0.0 112.621 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -60.8 131.46 50.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.472 0.709 . . . . 0.0 111.683 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.87 16.71 40.36 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 124.387 0.994 . . . . 0.0 115.018 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m 54.53 33.94 20.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.504 1.522 . . . . 0.0 113.458 -169.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -63.13 147.73 49.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.613 1.165 . . . . 0.0 113.466 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.71 43.94 0.26 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.829 1.204 . . . . 0.0 112.849 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -79.65 63.97 4.38 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.011 1.325 . . . . 0.0 112.946 -169.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.35 -8.85 59.68 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -172.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -101.92 143.5 31.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.006 1.323 . . . . 0.0 111.021 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.32 144.84 38.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.289 1.036 . . . . 0.0 113.239 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.43 147.32 49.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.295 1.438 . . . . 0.0 112.349 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.09 -12.79 40.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.008 1.323 . . . . 0.0 112.631 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -114.23 -22.69 9.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 113.73 -170.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.17 -178.05 6.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.589 1.556 . . . . 0.0 112.443 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -85.19 25.8 0.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -79.23 139.7 37.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 112.079 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.3 p -135.09 153.74 51.92 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.433 1.493 . . . . 0.0 111.523 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -152.95 163.93 38.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.18 0.992 . . . . 0.0 112.415 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -91.3 5.08 50.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.831 1.653 . . . . 0.0 114.558 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 t -142.34 134.57 27.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.908 1.283 . . . . 0.0 112.189 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.46 -26.92 66.62 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.274 1.03 . . . . 0.0 113.158 170.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.16 -43.98 68.81 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.79 0.709 . . . . 0.0 111.917 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -68.34 -33.29 74.03 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.812 -0.817 . . . . 0.0 111.706 174.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.39 -38.46 91.12 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.316 -0.865 . . . . 0.0 112.268 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -62.15 -46.12 90.39 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.27 -0.894 . . . . 0.0 110.925 170.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.7 -37.48 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.459 1.027 . . . . 0.0 112.036 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -60.65 -51.69 68.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.14 0.882 . . . . 0.0 111.887 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.32 -43.0 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.054 -1.029 . . . . 0.0 111.763 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.21 -15.87 63.53 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.478 1.511 . . . . 0.0 114.33 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -118.37 -35.02 3.88 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.325 1.05 . . . . 0.0 113.573 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.5 t -94.13 -40.67 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.172 0.989 . . . . 0.0 112.178 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -104.49 -35.13 8.0 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -172.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -80.97 44.69 0.77 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.872 1.269 . . . . 0.0 112.008 169.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -88.58 -44.85 10.35 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.278 1.831 . . . . 0.0 112.674 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 tt -81.01 -34.52 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.302 1.041 . . . . 0.0 113.144 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.829 2.052 . . . . 0.0 110.954 179.706 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -148.22 154.29 39.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.039 1.336 . . . . 0.0 111.616 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m 56.11 21.48 5.18 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.297 1.839 . . . . 0.0 115.645 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.88 156.42 10.53 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.282 1.42 . . . . 0.0 113.129 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -84.41 -37.27 21.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.629 1.171 . . . . 0.0 113.327 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -144.16 -3.54 0.85 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.782 1.633 . . . . 0.0 114.199 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.42 -175.7 44.87 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.986 1.755 . . . . 0.0 111.967 -176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.65 150.35 46.09 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -137.71 153.3 49.79 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.001 1.72 . . . . 0.0 110.753 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -83.05 95.53 8.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.245 0.618 . . . . 0.0 110.915 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.21 146.01 39.97 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.745 1.218 . . . . 0.0 111.939 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -70.25 146.7 50.46 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.807 1.243 . . . . 0.0 111.739 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -93.34 -7.91 43.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.811 1.245 . . . . 0.0 112.646 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.75 -20.78 8.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.128 1.371 . . . . 0.0 113.473 -169.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -147.52 -178.99 6.54 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.234 1.813 . . . . 0.0 111.602 173.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -84.59 23.84 1.09 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -77.9 138.99 39.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.16 1.384 . . . . 0.0 112.891 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.0 p -125.82 143.57 51.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.061 1.744 . . . . 0.0 110.336 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -122.88 165.02 17.35 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.31 -13.42 30.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.43 1.492 . . . . 0.0 112.845 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t -153.04 144.39 23.24 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.927 1.291 . . . . 0.0 112.279 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.01 -31.15 71.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.228 1.011 . . . . 0.0 112.431 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.59 79.35 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.642 0.639 . . . . 0.0 112.499 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -72.48 -29.37 63.58 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.619 -0.93 . . . . 0.0 112.291 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.98 -40.09 94.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.159 -0.963 . . . . 0.0 111.943 170.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.05 -43.91 95.04 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.887 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.54 -41.87 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.778 0.717 . . . . 0.0 111.866 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -58.43 -45.63 88.12 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.018 0.827 . . . . 0.0 112.134 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.45 -47.49 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.349 -0.844 . . . . 0.0 111.165 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.16 -17.48 60.38 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.43 1.492 . . . . 0.0 114.196 -170.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtp85 -116.8 6.39 13.18 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.891 1.276 . . . . 0.0 113.174 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.16 -69.64 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.657 1.183 . . . . 0.0 110.419 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -75.81 -25.16 56.1 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -169.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -95.66 -9.46 31.97 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.74 1.216 . . . . 0.0 113.546 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -82.54 -40.66 20.67 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.004 1.322 . . . . 0.0 111.934 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 tp -71.16 134.91 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.455 0.702 . . . . 0.0 110.797 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.93 1.692 . . . . 0.0 111.551 -175.729 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -133.77 152.51 51.89 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.328 1.451 . . . . 0.0 112.035 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -150.52 166.76 29.21 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.151 1.38 . . . . 0.0 111.696 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.51 -33.06 1.6 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.937 1.732 . . . . 0.0 115.439 176.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 p -61.31 -27.54 68.56 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.308 1.443 . . . . 0.0 114.349 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -118.39 11.9 13.17 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.96 1.704 . . . . 0.0 112.899 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.25 -9.53 76.19 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.116 1.341 . . . . 0.0 115.003 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -133.95 156.08 48.78 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.714 1.605 . . . . 0.0 111.6 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -72.91 156.18 39.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.346 1.058 . . . . 0.0 112.976 177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -90.66 156.59 17.99 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.664 1.586 . . . . 0.0 110.873 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.76 141.02 40.94 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.051 0.941 . . . . 0.0 112.591 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.63 146.58 54.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.172 1.389 . . . . 0.0 112.184 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -86.41 -11.56 51.59 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.734 1.213 . . . . 0.0 112.787 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -117.67 -22.89 7.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.894 1.278 . . . . 0.0 113.985 -170.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.27 -179.12 6.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.558 1.543 . . . . 0.0 112.306 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -85.49 21.38 1.8 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -76.2 140.69 41.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.256 1.422 . . . . 0.0 112.259 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 p -127.07 150.44 49.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.378 1.471 . . . . 0.0 111.272 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.64 160.12 41.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -168.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.52 -21.73 32.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.163 . . . . 0.0 113.565 -173.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 p -148.41 160.18 43.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.463 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -63.86 -34.28 77.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.65 0.78 . . . . 0.0 112.257 174.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.02 87.01 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 123.848 0.737 . . . . 0.0 113.042 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.69 -27.62 62.19 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.926 -0.749 . . . . 0.0 111.743 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.13 -37.35 66.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.881 -1.137 . . . . 0.0 112.324 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -58.62 -45.58 88.92 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.403 -0.811 . . . . 0.0 111.478 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.24 -28.59 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.49 1.041 . . . . 0.0 113.082 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -63.91 -51.1 66.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.061 0.846 . . . . 0.0 110.547 168.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.28 -43.76 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.431 -0.793 . . . . 0.0 111.242 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.05 -14.82 63.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.52 1.528 . . . . 0.0 114.098 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.83 -33.56 5.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.777 1.231 . . . . 0.0 113.254 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -101.43 -30.12 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.359 1.063 . . . . 0.0 112.599 -173.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -124.38 0.07 8.26 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -63.9 -28.23 69.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.7 1.2 . . . . 0.0 113.152 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -124.45 159.89 29.48 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.829 2.051 . . . . 0.0 110.899 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.8 tp -141.42 154.47 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.516 1.527 . . . . 0.0 111.261 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.433 1.493 . . . . 0.0 112.784 -179.221 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -147.43 177.53 9.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.041 1.337 . . . . 0.0 112.194 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -71.54 -0.82 11.47 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.683 1.193 . . . . 0.0 114.043 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.49 166.78 42.82 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.125 1.345 . . . . 0.0 113.459 -174.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -71.22 -1.45 12.67 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -170.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -72.84 -25.07 60.99 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.31 1.044 . . . . 0.0 112.008 168.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.02 160.38 24.03 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.62 1.581 . . . . 0.0 112.585 169.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -81.4 126.89 32.17 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.699 -0.883 . . . . 0.0 111.789 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.74 159.12 40.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.224 1.81 . . . . 0.0 111.87 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -100.07 150.87 22.02 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.798 1.639 . . . . 0.0 110.473 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.16 146.34 40.47 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.257 1.023 . . . . 0.0 113.326 -173.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -71.47 147.48 47.77 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.05 1.34 . . . . 0.0 111.987 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -90.67 -10.66 42.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.942 1.297 . . . . 0.0 112.643 176.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -117.17 -21.2 8.92 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.923 1.289 . . . . 0.0 113.818 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -150.99 -178.0 6.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.749 1.619 . . . . 0.0 112.171 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -84.61 26.45 0.8 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -77.7 138.8 39.26 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.796 1.238 . . . . 0.0 112.001 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -138.35 153.42 48.97 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.037 1.335 . . . . 0.0 111.602 170.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -150.54 156.93 42.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.141 0.977 . . . . 0.0 112.361 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -2.46 40.01 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 169.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.7 t -128.86 132.43 47.75 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.456 1.502 . . . . 0.0 112.465 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -71.1 -23.67 62.16 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 112.95 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.79 -42.55 86.48 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.761 0.696 . . . . 0.0 112.124 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -65.77 -37.34 86.08 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.998 -0.707 . . . . 0.0 111.436 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -64.59 -39.24 93.37 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.658 0.663 . . . . 0.0 112.27 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.65 -44.53 96.79 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.394 -0.816 . . . . 0.0 111.105 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.07 -38.6 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.891 0.876 . . . . 0.0 111.928 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -61.0 -49.73 76.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.56 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.58 -38.74 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 120.983 -1.073 . . . . 0.0 110.963 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.33 -32.56 64.64 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -125.52 -31.52 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -168.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.1 -36.92 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.176 0.591 . . . . 0.0 110.527 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -98.81 -1.62 39.91 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 mptt 62.88 166.91 0.12 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 128.251 2.62 . . . . 0.0 115.421 172.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -61.91 143.49 56.35 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.569 1.547 . . . . 0.0 112.274 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.6 tp -99.84 148.81 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.111 1.764 . . . . 0.0 109.22 167.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.974 1.709 . . . . 0.0 114.145 -169.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -68.58 150.75 47.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.522 1.129 . . . . 0.0 113.124 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 p -78.97 165.89 22.96 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.978 1.311 . . . . 0.0 113.164 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.66 163.16 36.09 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.914 1.245 . . . . 0.0 112.928 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -70.33 139.51 52.03 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.187 0.995 . . . . 0.0 113.014 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -77.37 -16.95 58.61 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -170.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.86 23.35 0.61 Allowed Glycine 0 CA--C 1.535 1.284 0 N-CA-C 115.445 0.938 . . . . 0.0 115.445 -173.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -118.94 25.18 10.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.998 1.319 . . . . 0.0 112.791 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -142.27 149.99 40.29 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.973 1.709 . . . . 0.0 110.787 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -107.19 146.49 31.3 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.263 1.425 . . . . 0.0 110.655 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.27 144.05 38.2 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.239 1.015 . . . . 0.0 112.655 -174.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.71 146.68 54.49 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.168 1.387 . . . . 0.0 112.017 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -88.25 -8.8 54.67 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.625 1.17 . . . . 0.0 112.697 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -121.54 -22.78 5.79 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.944 1.297 . . . . 0.0 114.005 -169.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.56 -176.55 5.29 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.474 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.79 25.54 1.26 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -80.29 140.76 36.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.18 1.392 . . . . 0.0 112.288 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -136.02 151.49 49.93 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.2 1.4 . . . . 0.0 111.949 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -153.23 169.27 23.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.865 1.266 . . . . 0.0 112.903 -177.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.63 1.32 57.23 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -174.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -148.26 142.88 26.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.957 0.903 . . . . 0.0 113.162 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -60.18 -29.09 68.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.177 0.991 . . . . 0.0 112.734 169.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.8 -42.96 85.53 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.675 0.655 . . . . 0.0 112.126 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.56 87.06 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.908 -0.76 . . . . 0.0 111.519 174.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.28 -47.52 83.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.678 0.791 . . . . 0.0 111.9 173.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.72 -42.62 99.75 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.696 . . . . 0.0 112.218 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.63 -40.34 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.874 0.87 . . . . 0.0 111.568 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.23 -52.6 64.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.946 0.793 . . . . 0.0 111.5 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -58.55 -49.46 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.565 -0.71 . . . . 0.0 110.726 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.7 -20.09 65.23 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -174.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -104.99 -24.21 12.86 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.047 0.939 . . . . 0.0 113.073 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 t -110.8 -32.2 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.874 0.869 . . . . 0.0 113.214 -171.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -131.96 -25.07 2.08 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -170.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp 65.38 146.06 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.781 2.432 . . . . 0.0 111.769 -166.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 171.07 5.6 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.369 0.667 . . . . 0.0 111.993 169.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.4 tt -62.96 -26.62 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.793 1.637 . . . . 0.0 113.224 -178.748 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -76.84 160.86 28.9 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.96 1.304 . . . . 0.0 113.271 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 m -66.26 145.85 55.28 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.554 1.142 . . . . 0.0 112.816 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.9 139.17 30.88 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.964 0.793 . . . . 0.0 113.565 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -72.34 -15.0 61.88 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -71.89 -17.73 62.09 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -176.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.59 -165.21 50.35 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.297 0.951 . . . . 0.0 113.974 -176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -84.64 143.47 29.22 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.454 1.102 . . . . 0.0 112.601 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -123.36 139.62 53.85 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.115 1.766 . . . . 0.0 109.356 169.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.71 156.94 46.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.396 1.078 . . . . 0.0 113.122 -169.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.87 160.04 40.67 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.991 1.716 . . . . 0.0 111.626 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.67 140.63 58.89 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.823 0.82 . . . . 0.0 111.469 177.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -84.99 -10.06 57.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.447 1.099 . . . . 0.0 112.741 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -118.96 -22.89 7.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.064 1.345 . . . . 0.0 113.641 -170.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -147.18 -178.16 6.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.792 1.637 . . . . 0.0 111.715 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -86.26 23.85 1.48 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -82.77 139.3 33.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.567 1.147 . . . . 0.0 113.435 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.5 p -142.26 157.82 44.41 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.23 2.212 . . . . 0.0 110.207 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 t -144.73 168.31 20.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.636 0.775 . . . . 0.0 112.419 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.7 tp -73.01 -22.22 60.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.345 1.458 . . . . 0.0 113.003 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 t -137.64 143.2 41.27 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.272 1.429 . . . . 0.0 111.373 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -67.75 -22.67 65.21 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.348 1.059 . . . . 0.0 113.203 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.83 -38.23 94.96 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 119.247 0.931 . . . . 0.0 113.628 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -70.03 -36.47 75.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.764 0.826 . . . . 0.0 111.994 175.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.01 -34.96 73.99 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.129 0.972 . . . . 0.0 112.307 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -62.55 -53.9 47.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.293 1.037 . . . . 0.0 110.074 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.45 -28.41 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -58.1 -49.32 77.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 110.94 169.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.03 -42.54 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.056 -1.028 . . . . 0.0 111.428 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.89 -24.44 66.94 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -117.56 -28.79 5.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -98.49 -33.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 112.269 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -117.25 -27.74 6.36 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 -169.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -71.25 153.95 42.03 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.564 1.074 . . . . 0.0 111.88 169.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -141.78 171.11 14.51 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.134 1.773 . . . . 0.0 112.465 -176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.96 156.28 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.055 1.342 . . . . 0.0 113.295 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.343 1.857 . . . . 0.0 111.316 179.466 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -150.05 172.42 15.28 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.139 1.375 . . . . 0.0 111.811 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m 58.88 29.55 18.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.134 1.773 . . . . 0.0 115.302 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.62 -135.47 22.01 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.28 0.943 . . . . 0.0 113.851 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -59.83 138.2 57.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.979 1.312 . . . . 0.0 112.455 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -156.76 149.01 23.15 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.454 1.102 . . . . 0.0 112.76 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.22 -126.82 43.53 Favored Glycine 0 CA--C 1.535 1.325 0 O-C-N 121.616 -0.677 . . . . 0.0 112.123 -177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -88.17 -0.18 56.78 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -106.09 129.45 54.18 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.526 1.131 . . . . 0.0 111.773 -174.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -118.51 145.35 45.38 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.55 1.54 . . . . 0.0 110.882 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.08 144.66 48.75 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.374 1.07 . . . . 0.0 112.687 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.53 145.93 54.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.681 1.192 . . . . 0.0 111.685 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.38 -8.88 52.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.584 1.154 . . . . 0.0 112.726 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -121.71 -20.01 6.62 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.779 1.232 . . . . 0.0 114.217 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.71 -178.3 6.37 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.547 1.539 . . . . 0.0 112.31 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -84.57 28.27 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.51 141.72 30.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.257 1.423 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.5 p -136.46 147.74 47.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.471 1.508 . . . . 0.0 112.119 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.7 p -152.76 178.23 9.85 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.439 1.496 . . . . 0.0 113.117 -174.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.62 -6.07 34.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.6 p -155.53 162.93 40.59 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.63 -29.53 69.3 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.069 0.947 . . . . 0.0 112.044 169.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -46.77 86.64 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.148 0.88 . . . . 0.0 112.587 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -62.2 -40.21 95.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.211 1.006 . . . . 0.0 111.808 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.68 -44.22 96.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.977 0.911 . . . . 0.0 112.093 175.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.33 -46.42 90.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.876 0.87 . . . . 0.0 111.546 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.05 -40.87 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.634 0.773 . . . . 0.0 111.454 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.97 -49.58 77.11 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.977 0.808 . . . . 0.0 111.88 173.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.5 -43.23 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.396 -0.815 . . . . 0.0 111.285 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -74.81 -1.52 22.54 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -119.37 -37.52 3.16 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.453 -1.405 . . . . 0.0 113.563 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -97.61 -27.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.262 1.025 . . . . 0.0 112.619 -172.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -127.64 36.62 4.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.781 1.232 . . . . 0.0 113.298 -170.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -57.4 -20.28 28.85 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.428 1.491 . . . . 0.0 114.965 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -66.26 -21.69 66.29 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.263 1.825 . . . . 0.0 114.283 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.87 146.95 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.401 1.481 . . . . 0.0 110.863 171.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.1 mttm . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.25 1.42 . . . . 0.0 112.241 -169.396 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -67.91 148.89 50.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.577 1.151 . . . . 0.0 113.011 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 p -76.11 -30.19 58.14 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.565 1.146 . . . . 0.0 113.96 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.23 10.06 68.72 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.672 1.13 . . . . 0.0 114.941 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -79.86 -14.44 58.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.933 1.366 . . . . 0.0 114.649 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -138.85 -50.41 0.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.047 1.339 . . . . 0.0 113.188 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.62 -127.83 39.92 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.283 0.944 . . . . 0.0 113.011 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 57.98 39.03 26.87 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.597 1.559 . . . . 0.0 114.626 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -68.64 150.48 47.92 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.208 -0.932 . . . . 0.0 110.758 169.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -80.15 91.3 5.53 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 122.06 0.933 . . . . 0.0 110.099 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.39 158.01 44.89 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.167 1.787 . . . . 0.0 111.891 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.3 146.23 54.33 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.217 1.407 . . . . 0.0 112.086 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.74 -9.91 56.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.536 1.134 . . . . 0.0 112.792 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -119.92 -24.31 6.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.857 1.263 . . . . 0.0 113.963 -169.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -147.81 -178.25 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.382 1.473 . . . . 0.0 112.417 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 m -84.24 25.82 0.82 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -81.15 140.81 34.78 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 112.146 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -151.81 151.2 31.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.593 1.557 . . . . 0.0 110.193 170.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 t -147.5 150.64 34.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.971 0.908 . . . . 0.0 112.599 -173.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.68 -29.93 67.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 112.034 171.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -82.81 123.28 29.2 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.937 0.895 . . . . 0.0 111.703 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.8 -16.27 60.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.058 1.343 . . . . 0.0 112.587 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.06 -39.52 8.5 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.947 1.261 . . . . 0.0 112.779 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -62.53 -33.77 75.56 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.194 0.997 . . . . 0.0 111.935 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.63 -39.84 95.1 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.342 0.657 . . . . 0.0 112.451 173.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -67.78 -45.52 74.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.142 0.577 . . . . 0.0 110.751 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.77 -40.91 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.838 0.855 . . . . 0.0 111.547 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.23 -53.3 59.9 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.276 1.031 . . . . 0.0 111.742 174.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.34 -35.9 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.328 -0.858 . . . . 0.0 111.478 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.43 -10.63 59.78 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -122.82 -23.12 5.12 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -100.98 -33.16 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.189 0.996 . . . . 0.0 112.661 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -121.57 87.94 2.85 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 -169.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -139.46 165.59 26.82 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.303 1.841 . . . . 0.0 111.687 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -66.26 -18.32 65.28 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.308 1.443 . . . . 0.0 114.305 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.8 tp -132.04 141.06 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.971 1.708 . . . . 0.0 110.152 171.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 C--O 1.252 1.212 0 C-N-CA 126.436 1.894 . . . . 0.0 111.466 -174.671 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -69.12 -12.84 62.03 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -78.39 -5.53 52.59 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.814 1.645 . . . . 0.0 114.663 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.15 23.11 0.74 Allowed Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.942 1.734 . . . . 0.0 116.712 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -75.51 -10.03 59.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.452 1.501 . . . . 0.0 115.041 -174.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 m -132.43 154.61 49.68 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.613 1.565 . . . . 0.0 112.277 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.41 9.33 0.02 OUTLIER Glycine 0 CA--C 1.539 1.566 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -86.95 -1.5 57.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.985 1.714 . . . . 0.0 114.824 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -71.33 160.86 32.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.428 1.491 . . . . 0.0 113.33 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -127.63 130.34 48.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.273 1.429 . . . . 0.0 111.104 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.8 160.65 39.76 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.655 1.582 . . . . 0.0 112.029 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.84 145.08 51.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.999 1.32 . . . . 0.0 112.324 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -85.58 -10.27 56.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.408 1.083 . . . . 0.0 112.892 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -119.62 -20.27 7.77 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.864 1.265 . . . . 0.0 113.98 -171.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -148.68 177.84 9.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.301 1.44 . . . . 0.0 112.276 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -82.41 28.76 0.45 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.916 1.286 . . . . 0.0 114.418 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -84.65 134.48 34.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.144 1.378 . . . . 0.0 112.557 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -127.87 146.84 50.49 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.452 1.901 . . . . 0.0 108.851 174.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.6 166.9 21.85 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -169.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 tp -80.22 -22.65 41.6 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.303 1.441 . . . . 0.0 113.107 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -141.36 143.67 34.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.064 1.346 . . . . 0.0 111.855 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.63 -29.6 70.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.245 1.018 . . . . 0.0 111.866 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.37 -42.76 89.48 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 123.666 0.651 . . . . 0.0 112.466 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.6 -36.01 80.06 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.651 -0.911 . . . . 0.0 111.805 174.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.43 -38.79 92.25 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.56 -0.713 . . . . 0.0 112.321 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.42 -42.2 98.36 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.268 -0.895 . . . . 0.0 111.437 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.14 -38.0 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.776 0.83 . . . . 0.0 112.017 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.66 -52.85 63.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.145 0.884 . . . . 0.0 111.248 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -37.43 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.37 -0.831 . . . . 0.0 111.459 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.8 -24.87 64.45 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.884 1.274 . . . . 0.0 114.063 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -118.39 -30.71 5.15 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.56 -18.81 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.308 1.043 . . . . 0.0 112.666 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -127.36 127.56 44.44 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.266 1.426 . . . . 0.0 111.13 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -67.19 138.49 57.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.913 1.685 . . . . 0.0 111.964 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.14 150.71 30.11 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.254 1.422 . . . . 0.0 111.854 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 pt -133.84 158.99 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.647 1.579 . . . . 0.0 112.148 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.261 1.824 . . . . 0.0 111.247 179.465 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -77.93 -20.89 51.98 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -86.82 146.0 26.39 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.438 1.095 . . . . 0.0 112.149 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.77 152.2 50.16 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.895 0.76 . . . . 0.0 113.495 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -63.98 -25.27 68.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.271 1.028 . . . . 0.0 113.47 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -79.06 -6.54 56.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.665 1.586 . . . . 0.0 114.664 175.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.15 148.66 50.45 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.35 0.976 . . . . 0.0 113.762 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -148.13 145.51 28.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.01 1.324 . . . . 0.0 111.724 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -144.55 161.33 39.38 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.159 1.784 . . . . 0.0 111.396 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -93.79 131.5 39.1 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.887 0.875 . . . . 0.0 110.281 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.75 145.64 38.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.508 1.123 . . . . 0.0 112.803 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -69.99 147.92 49.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.119 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.25 -9.82 43.79 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.876 1.27 . . . . 0.0 112.727 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -118.13 -23.06 7.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.042 1.337 . . . . 0.0 113.736 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -146.97 -178.59 6.28 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.799 1.64 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 p -84.7 22.51 1.32 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -77.01 138.6 39.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.346 1.458 . . . . 0.0 112.452 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -130.45 152.85 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.696 1.598 . . . . 0.0 111.006 172.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -142.43 161.54 37.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.106 0.962 . . . . 0.0 113.376 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.89 -4.65 54.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 114.317 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 t -149.82 138.24 20.65 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.014 1.326 . . . . 0.0 112.106 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -63.86 -38.09 89.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 112.079 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.34 93.23 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.946 0.784 . . . . 0.0 112.616 177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -72.65 -33.97 66.95 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.678 -0.895 . . . . 0.0 112.06 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.41 -40.08 92.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.324 -0.86 . . . . 0.0 111.924 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.29 -43.44 96.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.411 -0.806 . . . . 0.0 111.155 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.48 -44.08 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.074 0.852 . . . . 0.0 111.481 172.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -56.09 -52.18 65.23 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.795 1.179 . . . . 0.0 111.601 175.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.12 -45.52 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.508 -0.745 . . . . 0.0 111.334 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.48 -17.29 61.25 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -102.36 -36.1 8.58 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.029 1.332 . . . . 0.0 111.616 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -106.47 -30.75 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.749 1.22 . . . . 0.0 112.772 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -120.89 49.2 1.5 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.024 1.33 . . . . 0.0 112.208 -172.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.26 162.88 11.31 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.426 1.49 . . . . 0.0 112.138 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -55.8 140.37 42.4 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.068 1.347 . . . . 0.0 112.677 -174.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 pt -83.53 40.7 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.017 1.727 . . . . 0.0 113.963 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.478 1.511 . . . . 0.0 112.11 178.584 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -83.33 174.92 10.28 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.816 1.246 . . . . 0.0 113.052 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -74.52 -5.72 44.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.073 1.349 . . . . 0.0 114.474 174.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.04 -156.65 53.58 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.864 1.221 . . . . 0.0 114.537 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.7 p -86.14 0.14 54.29 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.571 1.548 . . . . 0.0 114.771 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -60.99 143.27 55.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.717 1.207 . . . . 0.0 112.931 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.44 8.88 87.45 Favored Glycine 0 CA--C 1.539 1.59 0 N-CA-C 115.779 1.071 . . . . 0.0 115.779 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -69.17 -21.35 63.99 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.161 1.48 . . . . 0.0 113.614 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -144.45 162.36 36.71 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.618 2.367 . . . . 0.0 110.996 169.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -80.87 154.96 26.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 0.0 111.62 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.65 143.91 37.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.049 0.94 . . . . 0.0 113.132 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.81 147.45 51.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 112.062 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.69 -9.65 55.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.826 1.25 . . . . 0.0 113.119 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -123.0 -18.95 6.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 p -148.28 176.83 9.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.227 1.411 . . . . 0.0 112.371 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -81.76 26.41 0.5 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -81.7 135.47 35.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.225 1.41 . . . . 0.0 111.825 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -119.77 145.24 46.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.989 1.315 . . . . 0.0 110.746 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -131.55 153.94 49.34 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -167.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 tp -81.53 -26.21 35.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.443 1.497 . . . . 0.0 113.291 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.1 p -145.44 157.44 44.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.161 0.984 . . . . 0.0 113.143 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.09 -35.23 79.95 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.727 0.811 . . . . 0.0 112.048 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.08 -43.46 95.67 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.65 0.643 . . . . 0.0 112.984 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.08 -32.38 71.78 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 122.025 -0.691 . . . . 0.0 111.63 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -71.08 -38.72 72.43 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.969 -1.082 . . . . 0.0 112.726 173.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.31 -44.16 97.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 112.026 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.34 -30.23 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.04 0.836 . . . . 0.0 112.704 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.84 -53.09 61.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.159 0.89 . . . . 0.0 110.533 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.45 -41.86 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.526 -0.734 . . . . 0.0 111.57 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.17 -25.59 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.95 -27.31 8.85 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.174 0.897 . . . . 0.0 113.167 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -90.25 -62.06 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.71 0.804 . . . . 0.0 110.945 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -85.19 58.05 4.81 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.072 1.349 . . . . 0.0 114.191 -168.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -74.24 171.53 13.46 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.112 1.765 . . . . 0.0 112.313 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.2 -15.12 63.45 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.6 tt -145.65 148.26 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.008 1.323 . . . . 0.0 111.682 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.255 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -93.93 20.13 8.14 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.557 1.543 . . . . 0.0 114.355 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 p -74.03 153.23 39.77 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.306 1.442 . . . . 0.0 113.044 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.68 172.32 36.89 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.189 1.376 . . . . 0.0 112.519 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 p -66.12 -22.09 66.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 p -81.32 -19.68 42.36 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.398 1.479 . . . . 0.0 114.028 173.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.79 -158.1 37.51 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.9 1.238 . . . . 0.0 114.89 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 61.32 172.3 0.11 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.238 2.215 . . . . 0.0 116.131 177.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -140.43 164.85 29.02 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 128.165 2.586 . . . . 0.0 109.155 171.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -76.0 133.64 40.35 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.902 -0.499 . . . . 0.0 110.501 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.67 148.24 42.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.4 1.08 . . . . 0.0 112.923 -169.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.86 149.03 49.39 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.201 1.4 . . . . 0.0 112.454 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.33 -10.49 43.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.968 1.307 . . . . 0.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -118.77 -23.19 7.09 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.326 . . . . 0.0 113.81 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -147.39 -177.31 5.62 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.641 1.576 . . . . 0.0 112.344 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -85.91 22.11 1.77 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.8 137.94 42.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.2 1.4 . . . . 0.0 112.123 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.1 p -136.36 151.98 50.15 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.538 1.535 . . . . 0.0 111.343 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.4 p -151.36 169.1 22.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.3 tp -90.82 -7.53 52.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.556 1.542 . . . . 0.0 113.906 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -145.62 142.53 29.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.349 1.06 . . . . 0.0 112.962 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -61.38 -27.02 68.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.357 1.063 . . . . 0.0 112.55 171.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.36 97.4 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.485 0.584 . . . . 0.0 112.328 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -68.35 -36.43 79.21 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.831 -0.805 . . . . 0.0 111.71 175.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.82 -44.57 96.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.766 0.826 . . . . 0.0 112.099 172.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -62.0 -48.4 80.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.26 -38.47 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.356 1.062 . . . . 0.0 112.341 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.22 -56.53 20.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.759 0.824 . . . . 0.0 111.192 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 123.803 0.841 . . . . 0.0 111.438 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.49 -27.28 69.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.723 1.209 . . . . 0.0 113.746 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -110.29 -27.59 9.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -169.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.56 -17.54 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -173.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -115.73 15.4 16.46 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.43 135.51 55.31 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.949 0.899 . . . . 0.0 110.172 169.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -72.05 137.34 47.09 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.029 0.931 . . . . 0.0 112.07 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.9 mt -134.35 138.22 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.389 1.875 . . . . 0.0 108.666 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.332 0 C-N-CA 125.917 1.687 . . . . 0.0 111.773 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -147.29 163.7 35.57 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.279 1.432 . . . . 0.0 112.587 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -148.48 163.5 36.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.366 1.466 . . . . 0.0 111.437 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.98 140.26 39.74 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.425 1.012 . . . . 0.0 113.638 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.2 p -102.9 -1.15 30.05 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.528 1.531 . . . . 0.0 114.594 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -139.95 165.85 26.23 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.86 1.664 . . . . 0.0 112.928 -175.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.9 -29.38 0.14 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.196 0.903 . . . . 0.0 114.486 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.41 48.67 1.18 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.34 1.456 . . . . 0.0 112.487 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -79.34 52.66 1.38 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.225 1.81 . . . . 0.0 112.702 -173.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -80.37 138.05 36.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.218 1.407 . . . . 0.0 111.511 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.4 165.77 26.33 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.587 2.355 . . . . 0.0 111.052 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.16 141.71 53.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.775 0.797 . . . . 0.0 111.626 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.1 -10.33 55.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.347 1.059 . . . . 0.0 113.017 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -124.2 -16.7 6.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.02 -178.61 6.29 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.306 1.442 . . . . 0.0 111.919 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 p -85.88 23.04 1.53 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -80.81 141.32 34.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.837 1.255 . . . . 0.0 113.219 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -140.8 148.14 40.14 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.573 1.949 . . . . 0.0 110.839 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.21 152.39 43.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.367 1.067 . . . . 0.0 110.92 173.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.85 -41.33 78.6 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.941 0.896 . . . . 0.0 110.822 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.8 t -77.06 112.5 13.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.513 0.725 . . . . 0.0 110.464 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -74.91 -19.45 60.13 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.87 -0.519 . . . . 0.0 112.291 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.96 80.53 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.022 0.82 . . . . 0.0 111.732 168.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -66.58 -36.6 83.02 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.518 -0.989 . . . . 0.0 112.004 172.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.49 -40.28 92.91 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.474 -0.766 . . . . 0.0 112.608 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.53 -43.57 93.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.791 0.837 . . . . 0.0 111.408 172.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.14 -43.99 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.006 -0.997 . . . . 0.0 111.413 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -54.55 -50.05 68.85 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.422 1.464 . . . . 0.0 111.732 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.8 -41.8 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.684 -0.635 . . . . 0.0 110.968 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -80.16 -10.71 59.77 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -114.81 -35.13 4.91 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.124 1.37 . . . . 0.0 113.145 -174.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.76 -31.56 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.592 1.157 . . . . 0.0 112.044 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -109.85 30.2 6.91 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.744 1.218 . . . . 0.0 113.584 -172.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.75 142.97 58.24 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.365 -0.834 . . . . 0.0 110.602 169.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 51.4 34.81 12.63 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.87 1.668 . . . . 0.0 113.946 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.39 146.54 13.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 124.927 1.291 . . . . 0.0 112.286 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.3 tptt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.743 1.617 . . . . 0.0 112.677 -176.841 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -148.38 156.68 42.8 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.168 1.387 . . . . 0.0 111.736 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -152.22 158.5 42.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.578 1.551 . . . . 0.0 111.505 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.3 4.94 75.48 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.803 1.192 . . . . 0.0 115.661 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -141.62 34.28 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.949 1.7 . . . . 0.0 111.142 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -79.2 52.89 1.38 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.799 2.04 . . . . 0.0 114.356 -168.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.41 20.93 78.36 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.587 1.089 . . . . 0.0 115.415 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.67 132.96 40.91 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.759 1.279 . . . . 0.0 112.481 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.58 147.93 27.38 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.221 1.808 . . . . 0.0 111.308 175.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -108.19 156.25 19.54 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.85 1.26 . . . . 0.0 113.445 -170.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.36 161.56 24.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.405 1.482 . . . . 0.0 113.971 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -59.94 142.2 54.15 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.979 0.895 . . . . 0.0 112.112 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -89.18 -10.95 45.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.007 1.323 . . . . 0.0 112.73 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -116.3 -22.28 8.91 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.048 1.339 . . . . 0.0 113.652 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -147.43 175.75 10.56 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.594 1.557 . . . . 0.0 112.268 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -82.54 36.41 0.48 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.125 1.37 . . . . 0.0 114.102 -173.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -102.85 141.74 35.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 114.645 -169.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -144.99 153.53 41.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.687 2.395 . . . . 0.0 110.842 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -140.06 177.89 7.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.282 1.433 . . . . 0.0 110.791 169.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -84.16 -24.14 30.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 m -88.28 149.97 23.51 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.082 0.953 . . . . 0.0 113.059 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.21 -35.04 77.66 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.11 -3.33 73.12 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.388 1.47 . . . . 0.0 115.983 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -58.23 -37.34 74.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.434 1.617 . . . . 0.0 113.867 -168.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.2 -39.1 89.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.853 0.861 . . . . 0.0 112.317 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.15 -47.79 82.96 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.455 0.702 . . . . 0.0 110.859 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.54 -41.57 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.069 0.548 . . . . 0.0 111.032 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.39 -47.1 86.74 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.894 0.77 . . . . 0.0 112.355 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.28 -41.96 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.285 -0.884 . . . . 0.0 110.808 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -76.73 -1.0 25.78 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -130.61 -38.52 1.32 Allowed 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.728 -1.233 . . . . 0.0 114.24 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.4 t -96.61 -38.68 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.517 1.127 . . . . 0.0 111.771 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -104.89 4.08 31.61 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -78.81 53.31 1.35 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.015 1.726 . . . . 0.0 111.836 174.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -81.11 162.71 23.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.591 1.556 . . . . 0.0 113.435 -175.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -90.75 137.19 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.88 1.272 . . . . 0.0 108.735 169.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.0 pttt . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.861 1.665 . . . . 0.0 112.662 178.231 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -62.94 -19.84 64.64 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -172.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -78.53 -5.17 51.93 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.083 1.353 . . . . 0.0 114.288 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.8 158.81 46.8 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.488 1.042 . . . . 0.0 114.279 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -144.11 164.06 31.77 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.368 1.467 . . . . 0.0 113.174 -175.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 m -71.44 160.42 32.77 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.325 1.45 . . . . 0.0 113.862 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.84 -174.12 55.27 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.747 1.165 . . . . 0.0 113.962 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -144.88 158.65 43.72 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.371 1.068 . . . . 0.0 113.003 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.0 66.66 1.2 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.41 1.884 . . . . 0.0 110.492 -172.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -81.91 160.95 23.28 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.998 1.319 . . . . 0.0 113.872 -169.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.09 157.44 15.89 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.059 1.344 . . . . 0.0 113.287 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -67.33 146.57 53.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.524 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.83 -11.81 56.48 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.942 1.297 . . . . 0.0 112.884 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -120.2 -21.66 6.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.616 1.167 . . . . 0.0 113.895 -169.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -149.53 -176.32 5.35 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.642 1.577 . . . . 0.0 112.309 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 p -86.36 21.84 1.98 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -76.24 145.49 39.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.014 1.325 . . . . 0.0 112.475 174.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 m -136.39 143.15 43.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.525 1.53 . . . . 0.0 109.403 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.04 159.66 14.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.06 0.944 . . . . 0.0 113.314 -173.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -81.15 -16.51 52.75 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 169.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -165.06 144.38 6.77 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 128.188 2.595 . . . . 0.0 108.45 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -54.46 -26.06 28.82 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.77 -35.05 80.23 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.469 -0.77 . . . . 0.0 113.668 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.04 -25.71 47.98 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.33 1.065 . . . . 0.0 112.125 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.39 -38.36 87.36 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 120.834 -1.166 . . . . 0.0 111.72 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.95 -43.3 98.89 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.658 -0.651 . . . . 0.0 111.499 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.88 -41.75 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.929 0.891 . . . . 0.0 111.671 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -58.62 -49.72 76.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.629 0.772 . . . . 0.0 111.549 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.32 -41.75 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.612 -0.68 . . . . 0.0 111.132 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.58 1.18 20.37 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -125.74 -44.36 1.81 Allowed 'General case' 0 N--CA 1.481 1.098 0 O-C-N 120.432 -1.418 . . . . 0.0 113.718 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -83.78 -30.22 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.096 0.958 . . . . 0.0 111.756 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -125.03 31.35 5.65 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.688 1.595 . . . . 0.0 111.805 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -55.67 -17.76 6.49 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.381 2.272 . . . . 0.0 115.905 -168.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -56.82 -41.16 77.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.631 1.172 . . . . 0.0 112.235 169.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.265 64.2 mt 51.21 -84.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 128.399 2.68 . . . . 0.0 113.716 178.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.905 2.082 . . . . 0.0 111.252 179.061 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -66.65 152.26 45.73 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.672 1.189 . . . . 0.0 113.125 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -148.17 153.3 38.61 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.232 1.413 . . . . 0.0 111.929 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.59 -14.72 82.18 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.329 0.966 . . . . 0.0 114.231 172.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 m -72.47 145.48 47.53 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.517 1.158 . . . . 0.0 112.634 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -109.9 158.48 18.15 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.781 1.632 . . . . 0.0 113.34 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.74 -163.22 33.21 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.961 1.267 . . . . 0.0 114.052 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 55.62 37.78 29.32 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.6 1.56 . . . . 0.0 114.141 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -64.39 158.01 24.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.196 1.399 . . . . 0.0 113.321 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -80.93 118.54 22.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.723 0.809 . . . . 0.0 109.707 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.93 150.03 44.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.005 0.922 . . . . 0.0 112.93 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -67.94 150.36 48.61 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.638 1.575 . . . . 0.0 112.727 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -94.99 -9.05 35.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.29 1.436 . . . . 0.0 112.74 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.14 -20.06 9.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.305 1.442 . . . . 0.0 113.644 -171.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.3 -178.57 6.59 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.864 1.666 . . . . 0.0 112.055 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -84.97 28.04 0.72 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -81.6 135.64 35.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.377 1.471 . . . . 0.0 112.708 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.1 m -111.59 147.16 36.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.778 1.631 . . . . 0.0 109.736 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 t -131.82 160.36 35.84 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.246 1.418 . . . . 0.0 113.019 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -83.4 -25.13 31.58 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.892 1.277 . . . . 0.0 113.217 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -154.52 148.8 26.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.996 1.319 . . . . 0.0 111.687 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -56.41 -34.85 67.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.204 1.002 . . . . 0.0 112.109 169.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.28 73.65 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.252 0.929 . . . . 0.0 114.236 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.95 -35.06 14.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.514 1.126 . . . . 0.0 111.389 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.68 -35.08 76.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.181 0.992 . . . . 0.0 112.007 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -54.31 -41.29 68.81 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.755 1.222 . . . . 0.0 112.208 170.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.75 -39.6 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.716 0.806 . . . . 0.0 111.093 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.82 -44.33 97.06 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.229 -0.919 . . . . 0.0 111.982 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.99 -27.19 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 120.933 -1.105 . . . . 0.0 112.325 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -102.23 -23.85 13.97 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -118.61 -44.56 2.64 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.222 1.409 . . . . 0.0 112.578 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.6 t -71.92 -52.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -81.64 125.58 30.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 167.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -78.48 51.46 1.05 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.474 1.91 . . . . 0.0 112.207 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -78.52 54.03 1.4 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.484 2.313 . . . . 0.0 111.522 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.1 pt -123.55 5.52 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.886 1.674 . . . . 0.0 114.104 -169.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.493 1.917 . . . . 0.0 111.426 178.17 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.77 146.11 54.06 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 111.977 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.76 -10.04 54.51 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.716 1.206 . . . . 0.0 112.728 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.39 -24.39 5.89 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.979 1.311 . . . . 0.0 113.994 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.51 -178.69 6.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.354 1.462 . . . . 0.0 112.586 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -85.62 26.92 0.89 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -84.75 142.78 29.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.281 1.432 . . . . 0.0 112.586 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.1 p -137.99 149.72 46.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.168 1.387 . . . . 0.0 112.124 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -153.91 152.87 31.12 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.579 1.152 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 tp -78.6 -16.42 57.4 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -110.37 135.44 51.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.223 1.409 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -67.4 -31.83 72.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.113 0.965 . . . . 0.0 111.58 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.12 97.95 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.742 0.686 . . . . 0.0 112.07 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -66.6 -36.33 82.35 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.055 0.927 . . . . 0.0 111.893 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.09 -44.11 89.93 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.866 0.757 . . . . 0.0 111.779 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.75 -45.8 91.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.397 0.679 . . . . 0.0 111.633 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.02 -39.21 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.962 0.905 . . . . 0.0 112.001 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -60.63 -52.58 64.53 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.882 0.765 . . . . 0.0 111.285 174.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.48 -46.57 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.316 -0.865 . . . . 0.0 110.861 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.63 -15.31 63.37 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.664 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -118.76 -26.48 6.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.0 t -104.09 -40.25 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.939 . . . . 0.0 112.492 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 . . . . . 0 N--CA 1.477 0.903 0 C-N-CA 124.15 0.98 . . . . 0.0 113.152 -175.526 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.65 147.49 51.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.957 1.303 . . . . 0.0 112.43 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -89.76 -10.17 46.56 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.002 1.321 . . . . 0.0 112.72 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.19 -24.58 6.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.052 1.341 . . . . 0.0 113.892 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.48 -177.75 5.79 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.482 1.513 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -86.17 25.78 1.12 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -83.24 145.02 29.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.496 1.519 . . . . 0.0 112.661 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -139.53 152.61 47.05 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.911 1.284 . . . . 0.0 112.058 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 p -151.08 164.63 36.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.913 1.285 . . . . 0.0 112.756 -177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -81.02 -11.93 59.45 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 m -144.42 148.41 34.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.67 1.188 . . . . 0.0 112.701 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -66.78 -31.07 71.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.142 0.977 . . . . 0.0 113.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.41 -36.28 93.17 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.726 -0.609 . . . . 0.0 112.819 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -69.72 -37.69 76.63 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.745 -0.856 . . . . 0.0 111.314 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.38 -42.97 99.83 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.572 0.749 . . . . 0.0 111.71 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.78 -44.49 96.71 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.015 0.926 . . . . 0.0 111.308 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.77 -40.24 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.037 0.935 . . . . 0.0 112.046 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -59.18 -50.45 73.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.219 0.918 . . . . 0.0 111.336 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.51 -44.21 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.393 -0.817 . . . . 0.0 110.885 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.65 -26.22 67.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.792 1.237 . . . . 0.0 114.286 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -111.95 -28.33 8.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.317 0.962 . . . . 0.0 113.298 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -106.2 -29.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.478 1.111 . . . . 0.0 112.55 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 111.722 -172.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.612 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.0 149.0 50.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.198 1.399 . . . . 0.0 112.342 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -10.66 42.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.004 1.322 . . . . 0.0 112.776 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -118.86 -23.15 7.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.968 1.307 . . . . 0.0 113.899 -170.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -147.88 -177.37 5.69 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.516 1.526 . . . . 0.0 112.497 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.35 26.08 1.11 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.9 140.54 35.27 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.283 1.433 . . . . 0.0 112.342 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -137.27 151.78 49.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.443 1.497 . . . . 0.0 111.848 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.25 164.17 37.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.49 1.116 . . . . 0.0 113.538 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.602 ' H ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -84.95 -2.53 58.0 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -175.619 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -147.71 147.48 29.98 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.656 1.183 . . . . 0.0 112.43 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.62 -26.99 68.64 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.305 1.042 . . . . 0.0 112.195 170.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.0 -37.66 92.23 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.7 0.667 . . . . 0.0 112.699 171.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -68.58 -38.88 81.06 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.823 -0.81 . . . . 0.0 110.979 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.25 -44.9 95.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.685 0.794 . . . . 0.0 111.786 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -58.59 -50.14 74.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.159 0.984 . . . . 0.0 111.329 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.21 -41.01 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-O 118.803 -0.618 . . . . 0.0 111.413 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.97 -49.72 75.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.577 1.081 . . . . 0.0 111.785 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.02 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.561 -0.712 . . . . 0.0 110.94 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.3 -11.62 60.56 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -115.66 -41.65 3.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.131 . . . . 0.0 112.363 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.6 -40.47 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.433 1.093 . . . . 0.0 111.861 -173.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 . . . . . 0 N--CA 1.468 0.475 0 C-N-CA 124.318 1.047 . . . . 0.0 110.313 -176.575 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.97 148.99 47.12 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.116 1.366 . . . . 0.0 111.857 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -93.76 -8.66 40.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.949 1.3 . . . . 0.0 112.696 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -118.73 -20.7 8.17 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.055 1.342 . . . . 0.0 113.727 -169.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.18 -177.55 5.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.047 1.739 . . . . 0.0 112.052 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.1 m -86.48 27.37 0.96 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -78.93 135.87 37.09 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.895 1.278 . . . . 0.0 112.0 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -136.26 153.01 51.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.26 1.424 . . . . 0.0 111.316 171.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -149.83 164.0 36.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.323 1.049 . . . . 0.0 112.992 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.9 tp -94.99 -0.48 53.79 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.198 1.799 . . . . 0.0 113.128 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -129.8 138.33 50.98 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.317 1.447 . . . . 0.0 112.781 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -43.57 95.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.007 1.323 . . . . 0.0 111.661 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.6 97.55 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.766 0.698 . . . . 0.0 112.507 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -66.5 -36.94 83.95 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.996 -0.708 . . . . 0.0 112.147 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.89 -41.88 86.44 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.814 0.734 . . . . 0.0 112.192 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.2 -44.88 96.59 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 111.286 174.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.27 -39.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.266 1.026 . . . . 0.0 111.976 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.67 -53.35 58.46 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.821 0.737 . . . . 0.0 111.52 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.44 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 121.147 -0.971 . . . . 0.0 111.42 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.53 -26.77 68.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.404 1.482 . . . . 0.0 114.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -126.29 -27.84 3.16 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.85 -35.37 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.187 0.995 . . . . 0.0 111.484 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 N--CA 1.474 0.742 0 C-N-CA 124.923 1.289 . . . . 0.0 113.682 -176.082 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.43 147.32 49.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.295 1.438 . . . . 0.0 112.349 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.09 -12.79 40.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.008 1.323 . . . . 0.0 112.631 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -114.23 -22.69 9.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 113.73 -170.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.17 -178.05 6.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.589 1.556 . . . . 0.0 112.443 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -85.19 25.8 0.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -79.23 139.7 37.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 112.079 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.3 p -135.09 153.74 51.92 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.433 1.493 . . . . 0.0 111.523 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -152.95 163.93 38.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.18 0.992 . . . . 0.0 112.415 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -91.3 5.08 50.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.831 1.653 . . . . 0.0 114.558 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 t -142.34 134.57 27.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.908 1.283 . . . . 0.0 112.189 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.46 -26.92 66.62 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.274 1.03 . . . . 0.0 113.158 170.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.16 -43.98 68.81 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.79 0.709 . . . . 0.0 111.917 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -68.34 -33.29 74.03 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.812 -0.817 . . . . 0.0 111.706 174.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.39 -38.46 91.12 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.316 -0.865 . . . . 0.0 112.268 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -62.15 -46.12 90.39 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.27 -0.894 . . . . 0.0 110.925 170.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.7 -37.48 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.459 1.027 . . . . 0.0 112.036 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -60.65 -51.69 68.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.14 0.882 . . . . 0.0 111.887 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.32 -43.0 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.054 -1.029 . . . . 0.0 111.763 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.21 -15.87 63.53 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.478 1.511 . . . . 0.0 114.33 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -118.37 -35.02 3.88 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.325 1.05 . . . . 0.0 113.573 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.5 t -94.13 -40.67 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.172 0.989 . . . . 0.0 112.178 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -172.783 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -70.25 146.7 50.46 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.807 1.243 . . . . 0.0 111.739 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -93.34 -7.91 43.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.811 1.245 . . . . 0.0 112.646 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.75 -20.78 8.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.128 1.371 . . . . 0.0 113.473 -169.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -147.52 -178.99 6.54 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.234 1.813 . . . . 0.0 111.602 173.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -84.59 23.84 1.09 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -77.9 138.99 39.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.16 1.384 . . . . 0.0 112.891 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.0 p -125.82 143.57 51.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.061 1.744 . . . . 0.0 110.336 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -122.88 165.02 17.35 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.31 -13.42 30.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.43 1.492 . . . . 0.0 112.845 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t -153.04 144.39 23.24 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.927 1.291 . . . . 0.0 112.279 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.01 -31.15 71.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.228 1.011 . . . . 0.0 112.431 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.59 79.35 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.642 0.639 . . . . 0.0 112.499 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -72.48 -29.37 63.58 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.619 -0.93 . . . . 0.0 112.291 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.98 -40.09 94.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.159 -0.963 . . . . 0.0 111.943 170.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.05 -43.91 95.04 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.887 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.54 -41.87 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.778 0.717 . . . . 0.0 111.866 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -58.43 -45.63 88.12 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.018 0.827 . . . . 0.0 112.134 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.45 -47.49 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.349 -0.844 . . . . 0.0 111.165 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.16 -17.48 60.38 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.43 1.492 . . . . 0.0 114.196 -170.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtp85 -116.8 6.39 13.18 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.891 1.276 . . . . 0.0 113.174 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.16 -69.64 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.657 1.183 . . . . 0.0 110.419 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -169.679 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.63 146.58 54.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.172 1.389 . . . . 0.0 112.184 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -86.41 -11.56 51.59 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.734 1.213 . . . . 0.0 112.787 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -117.67 -22.89 7.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.894 1.278 . . . . 0.0 113.985 -170.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.27 -179.12 6.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.558 1.543 . . . . 0.0 112.306 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -85.49 21.38 1.8 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -76.2 140.69 41.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.256 1.422 . . . . 0.0 112.259 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 p -127.07 150.44 49.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.378 1.471 . . . . 0.0 111.272 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.64 160.12 41.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -168.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.52 -21.73 32.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.163 . . . . 0.0 113.565 -173.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 p -148.41 160.18 43.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.463 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -63.86 -34.28 77.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.65 0.78 . . . . 0.0 112.257 174.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.02 87.01 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 123.848 0.737 . . . . 0.0 113.042 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.69 -27.62 62.19 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.926 -0.749 . . . . 0.0 111.743 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.13 -37.35 66.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.881 -1.137 . . . . 0.0 112.324 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -58.62 -45.58 88.92 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.403 -0.811 . . . . 0.0 111.478 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.24 -28.59 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.49 1.041 . . . . 0.0 113.082 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -63.91 -51.1 66.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.061 0.846 . . . . 0.0 110.547 168.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.28 -43.76 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.431 -0.793 . . . . 0.0 111.242 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.05 -14.82 63.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.52 1.528 . . . . 0.0 114.098 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.83 -33.56 5.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.777 1.231 . . . . 0.0 113.254 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -101.43 -30.12 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.359 1.063 . . . . 0.0 112.599 -173.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.246 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -71.47 147.48 47.77 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.05 1.34 . . . . 0.0 111.987 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -90.67 -10.66 42.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.942 1.297 . . . . 0.0 112.643 176.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -117.17 -21.2 8.92 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.923 1.289 . . . . 0.0 113.818 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -150.99 -178.0 6.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.749 1.619 . . . . 0.0 112.171 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -84.61 26.45 0.8 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -77.7 138.8 39.26 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.796 1.238 . . . . 0.0 112.001 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -138.35 153.42 48.97 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.037 1.335 . . . . 0.0 111.602 170.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -150.54 156.93 42.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.141 0.977 . . . . 0.0 112.361 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.523 ' H ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -78.9 -2.46 40.01 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 169.795 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.7 t -128.86 132.43 47.75 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.456 1.502 . . . . 0.0 112.465 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -71.1 -23.67 62.16 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 112.95 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.79 -42.55 86.48 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.761 0.696 . . . . 0.0 112.124 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -65.77 -37.34 86.08 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.998 -0.707 . . . . 0.0 111.436 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -64.59 -39.24 93.37 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.658 0.663 . . . . 0.0 112.27 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.65 -44.53 96.79 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.394 -0.816 . . . . 0.0 111.105 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.07 -38.6 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.891 0.876 . . . . 0.0 111.928 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -61.0 -49.73 76.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.56 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.58 -38.74 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 120.983 -1.073 . . . . 0.0 110.963 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.33 -32.56 64.64 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -125.52 -31.52 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -168.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.1 -36.92 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.176 0.591 . . . . 0.0 110.527 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 169.767 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.71 146.68 54.49 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.168 1.387 . . . . 0.0 112.017 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -88.25 -8.8 54.67 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.625 1.17 . . . . 0.0 112.697 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -121.54 -22.78 5.79 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.944 1.297 . . . . 0.0 114.005 -169.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.56 -176.55 5.29 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.474 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.79 25.54 1.26 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -80.29 140.76 36.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.18 1.392 . . . . 0.0 112.288 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -136.02 151.49 49.93 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.2 1.4 . . . . 0.0 111.949 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -153.23 169.27 23.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.865 1.266 . . . . 0.0 112.903 -177.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.63 1.32 57.23 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -174.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -148.26 142.88 26.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.957 0.903 . . . . 0.0 113.162 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -60.18 -29.09 68.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.177 0.991 . . . . 0.0 112.734 169.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.8 -42.96 85.53 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.675 0.655 . . . . 0.0 112.126 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.56 87.06 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.908 -0.76 . . . . 0.0 111.519 174.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.28 -47.52 83.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.678 0.791 . . . . 0.0 111.9 173.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.72 -42.62 99.75 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.696 . . . . 0.0 112.218 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.63 -40.34 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.874 0.87 . . . . 0.0 111.568 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.23 -52.6 64.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.946 0.793 . . . . 0.0 111.5 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -58.55 -49.46 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.565 -0.71 . . . . 0.0 110.726 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.7 -20.09 65.23 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -174.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -104.99 -24.21 12.86 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.047 0.939 . . . . 0.0 113.073 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 t -110.8 -32.2 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.874 0.869 . . . . 0.0 113.214 -171.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -170.012 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.67 140.63 58.89 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.823 0.82 . . . . 0.0 111.469 177.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -84.99 -10.06 57.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.447 1.099 . . . . 0.0 112.741 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -118.96 -22.89 7.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.064 1.345 . . . . 0.0 113.641 -170.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -147.18 -178.16 6.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.792 1.637 . . . . 0.0 111.715 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -86.26 23.85 1.48 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -82.77 139.3 33.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.567 1.147 . . . . 0.0 113.435 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.5 p -142.26 157.82 44.41 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.23 2.212 . . . . 0.0 110.207 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 t -144.73 168.31 20.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.636 0.775 . . . . 0.0 112.419 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.7 tp -73.01 -22.22 60.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.345 1.458 . . . . 0.0 113.003 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 t -137.64 143.2 41.27 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.272 1.429 . . . . 0.0 111.373 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -67.75 -22.67 65.21 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.348 1.059 . . . . 0.0 113.203 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.83 -38.23 94.96 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 119.247 0.931 . . . . 0.0 113.628 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -70.03 -36.47 75.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.764 0.826 . . . . 0.0 111.994 175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.01 -34.96 73.99 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.129 0.972 . . . . 0.0 112.307 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -62.55 -53.9 47.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.293 1.037 . . . . 0.0 110.074 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.45 -28.41 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -58.1 -49.32 77.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 110.94 169.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.03 -42.54 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.056 -1.028 . . . . 0.0 111.428 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.89 -24.44 66.94 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -117.56 -28.79 5.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -98.49 -33.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 112.269 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 -169.924 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.53 145.93 54.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.681 1.192 . . . . 0.0 111.685 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.38 -8.88 52.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.584 1.154 . . . . 0.0 112.726 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -121.71 -20.01 6.62 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.779 1.232 . . . . 0.0 114.217 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.71 -178.3 6.37 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.547 1.539 . . . . 0.0 112.31 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -84.57 28.27 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.51 141.72 30.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.257 1.423 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.5 p -136.46 147.74 47.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.471 1.508 . . . . 0.0 112.119 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.7 p -152.76 178.23 9.85 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.439 1.496 . . . . 0.0 113.117 -174.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.62 -6.07 34.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.6 p -155.53 162.93 40.59 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.63 -29.53 69.3 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.069 0.947 . . . . 0.0 112.044 169.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -46.77 86.64 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.148 0.88 . . . . 0.0 112.587 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -62.2 -40.21 95.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.211 1.006 . . . . 0.0 111.808 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.68 -44.22 96.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.977 0.911 . . . . 0.0 112.093 175.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.33 -46.42 90.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.876 0.87 . . . . 0.0 111.546 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.05 -40.87 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.634 0.773 . . . . 0.0 111.454 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.97 -49.58 77.11 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.977 0.808 . . . . 0.0 111.88 173.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.5 -43.23 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.396 -0.815 . . . . 0.0 111.285 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -74.81 -1.52 22.54 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -119.37 -37.52 3.16 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.453 -1.405 . . . . 0.0 113.563 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -97.61 -27.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.262 1.025 . . . . 0.0 112.619 -172.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 124.781 1.232 . . . . 0.0 113.298 -170.536 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.683 0 CA-C-O 121.095 0.474 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.3 146.23 54.33 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.217 1.407 . . . . 0.0 112.086 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.74 -9.91 56.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.536 1.134 . . . . 0.0 112.792 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -119.92 -24.31 6.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.857 1.263 . . . . 0.0 113.963 -169.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -147.81 -178.25 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.382 1.473 . . . . 0.0 112.417 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 m -84.24 25.82 0.82 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -81.15 140.81 34.78 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 112.146 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -151.81 151.2 31.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.593 1.557 . . . . 0.0 110.193 170.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 t -147.5 150.64 34.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.971 0.908 . . . . 0.0 112.599 -173.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.68 -29.93 67.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 112.034 171.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -82.81 123.28 29.2 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.937 0.895 . . . . 0.0 111.703 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.8 -16.27 60.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.058 1.343 . . . . 0.0 112.587 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.06 -39.52 8.5 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.947 1.261 . . . . 0.0 112.779 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -62.53 -33.77 75.56 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.194 0.997 . . . . 0.0 111.935 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.63 -39.84 95.1 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.342 0.657 . . . . 0.0 112.451 173.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -67.78 -45.52 74.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.142 0.577 . . . . 0.0 110.751 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.77 -40.91 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.838 0.855 . . . . 0.0 111.547 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.23 -53.3 59.9 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.276 1.031 . . . . 0.0 111.742 174.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.34 -35.9 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.328 -0.858 . . . . 0.0 111.478 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.43 -10.63 59.78 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -122.82 -23.12 5.12 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -100.98 -33.16 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.189 0.996 . . . . 0.0 112.661 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 N--CA 1.471 0.588 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 -169.678 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.84 145.08 51.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.999 1.32 . . . . 0.0 112.324 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -85.58 -10.27 56.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.408 1.083 . . . . 0.0 112.892 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -119.62 -20.27 7.77 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.864 1.265 . . . . 0.0 113.98 -171.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -148.68 177.84 9.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.301 1.44 . . . . 0.0 112.276 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -82.41 28.76 0.45 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.916 1.286 . . . . 0.0 114.418 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -84.65 134.48 34.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.144 1.378 . . . . 0.0 112.557 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -127.87 146.84 50.49 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.452 1.901 . . . . 0.0 108.851 174.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.6 166.9 21.85 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -169.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 tp -80.22 -22.65 41.6 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.303 1.441 . . . . 0.0 113.107 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -141.36 143.67 34.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.064 1.346 . . . . 0.0 111.855 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.63 -29.6 70.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.245 1.018 . . . . 0.0 111.866 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.37 -42.76 89.48 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 123.666 0.651 . . . . 0.0 112.466 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.6 -36.01 80.06 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.651 -0.911 . . . . 0.0 111.805 174.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.43 -38.79 92.25 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.56 -0.713 . . . . 0.0 112.321 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.42 -42.2 98.36 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.268 -0.895 . . . . 0.0 111.437 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.14 -38.0 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.776 0.83 . . . . 0.0 112.017 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.66 -52.85 63.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.145 0.884 . . . . 0.0 111.248 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -37.43 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.37 -0.831 . . . . 0.0 111.459 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.8 -24.87 64.45 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.884 1.274 . . . . 0.0 114.063 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -118.39 -30.71 5.15 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.56 -18.81 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.308 1.043 . . . . 0.0 112.666 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 125.266 1.426 . . . . 0.0 111.13 -173.898 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -69.99 147.92 49.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.119 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.25 -9.82 43.79 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.876 1.27 . . . . 0.0 112.727 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -118.13 -23.06 7.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.042 1.337 . . . . 0.0 113.736 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -146.97 -178.59 6.28 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.799 1.64 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 p -84.7 22.51 1.32 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -77.01 138.6 39.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.346 1.458 . . . . 0.0 112.452 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -130.45 152.85 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.696 1.598 . . . . 0.0 111.006 172.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -142.43 161.54 37.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.106 0.962 . . . . 0.0 113.376 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.89 -4.65 54.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 114.317 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 t -149.82 138.24 20.65 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.014 1.326 . . . . 0.0 112.106 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -63.86 -38.09 89.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 112.079 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.34 93.23 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.946 0.784 . . . . 0.0 112.616 177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -72.65 -33.97 66.95 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.678 -0.895 . . . . 0.0 112.06 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.41 -40.08 92.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.324 -0.86 . . . . 0.0 111.924 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.29 -43.44 96.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.411 -0.806 . . . . 0.0 111.155 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.48 -44.08 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.074 0.852 . . . . 0.0 111.481 172.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -56.09 -52.18 65.23 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.795 1.179 . . . . 0.0 111.601 175.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.12 -45.52 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.508 -0.745 . . . . 0.0 111.334 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.48 -17.29 61.25 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -102.36 -36.1 8.58 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.029 1.332 . . . . 0.0 111.616 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -106.47 -30.75 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.749 1.22 . . . . 0.0 112.772 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 125.024 1.33 . . . . 0.0 112.208 -172.704 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.81 147.45 51.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 112.062 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.69 -9.65 55.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.826 1.25 . . . . 0.0 113.119 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -123.0 -18.95 6.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 p -148.28 176.83 9.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.227 1.411 . . . . 0.0 112.371 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -81.76 26.41 0.5 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -81.7 135.47 35.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.225 1.41 . . . . 0.0 111.825 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -119.77 145.24 46.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.989 1.315 . . . . 0.0 110.746 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -131.55 153.94 49.34 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -167.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 tp -81.53 -26.21 35.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.443 1.497 . . . . 0.0 113.291 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.1 p -145.44 157.44 44.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.161 0.984 . . . . 0.0 113.143 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.09 -35.23 79.95 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.727 0.811 . . . . 0.0 112.048 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.08 -43.46 95.67 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.65 0.643 . . . . 0.0 112.984 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.08 -32.38 71.78 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 122.025 -0.691 . . . . 0.0 111.63 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -71.08 -38.72 72.43 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.969 -1.082 . . . . 0.0 112.726 173.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.31 -44.16 97.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 112.026 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.34 -30.23 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.04 0.836 . . . . 0.0 112.704 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.84 -53.09 61.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.159 0.89 . . . . 0.0 110.533 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.45 -41.86 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.526 -0.734 . . . . 0.0 111.57 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.17 -25.59 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.95 -27.31 8.85 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.174 0.897 . . . . 0.0 113.167 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -90.25 -62.06 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.71 0.804 . . . . 0.0 110.945 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.072 1.349 . . . . 0.0 114.191 -168.494 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.86 149.03 49.39 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.201 1.4 . . . . 0.0 112.454 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.33 -10.49 43.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.968 1.307 . . . . 0.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -118.77 -23.19 7.09 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.326 . . . . 0.0 113.81 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -147.39 -177.31 5.62 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.641 1.576 . . . . 0.0 112.344 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -85.91 22.11 1.77 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.8 137.94 42.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.2 1.4 . . . . 0.0 112.123 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.1 p -136.36 151.98 50.15 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.538 1.535 . . . . 0.0 111.343 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.4 p -151.36 169.1 22.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.3 tp -90.82 -7.53 52.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.556 1.542 . . . . 0.0 113.906 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -145.62 142.53 29.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.349 1.06 . . . . 0.0 112.962 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -61.38 -27.02 68.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.357 1.063 . . . . 0.0 112.55 171.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.36 97.4 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.485 0.584 . . . . 0.0 112.328 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -68.35 -36.43 79.21 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.831 -0.805 . . . . 0.0 111.71 175.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.82 -44.57 96.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.766 0.826 . . . . 0.0 112.099 172.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -62.0 -48.4 80.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.26 -38.47 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.356 1.062 . . . . 0.0 112.341 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.22 -56.53 20.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.759 0.824 . . . . 0.0 111.192 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 123.803 0.841 . . . . 0.0 111.438 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.49 -27.28 69.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.723 1.209 . . . . 0.0 113.746 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -110.29 -27.59 9.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -169.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.56 -17.54 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -173.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 179.283 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.806 0 CA-C-O 120.012 -0.042 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.16 141.71 53.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.775 0.797 . . . . 0.0 111.626 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.1 -10.33 55.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.347 1.059 . . . . 0.0 113.017 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -124.2 -16.7 6.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.02 -178.61 6.29 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.306 1.442 . . . . 0.0 111.919 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 p -85.88 23.04 1.53 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -80.81 141.32 34.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.837 1.255 . . . . 0.0 113.219 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -140.8 148.14 40.14 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.573 1.949 . . . . 0.0 110.839 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.21 152.39 43.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.367 1.067 . . . . 0.0 110.92 173.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.85 -41.33 78.6 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.941 0.896 . . . . 0.0 110.822 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.8 t -77.06 112.5 13.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.513 0.725 . . . . 0.0 110.464 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -74.91 -19.45 60.13 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.87 -0.519 . . . . 0.0 112.291 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.96 80.53 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.022 0.82 . . . . 0.0 111.732 168.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -66.58 -36.6 83.02 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.518 -0.989 . . . . 0.0 112.004 172.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.49 -40.28 92.91 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.474 -0.766 . . . . 0.0 112.608 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.53 -43.57 93.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.791 0.837 . . . . 0.0 111.408 172.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.14 -43.99 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.006 -0.997 . . . . 0.0 111.413 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -54.55 -50.05 68.85 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.422 1.464 . . . . 0.0 111.732 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.8 -41.8 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.684 -0.635 . . . . 0.0 110.968 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -80.16 -10.71 59.77 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -114.81 -35.13 4.91 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.124 1.37 . . . . 0.0 113.145 -174.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.76 -31.56 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.592 1.157 . . . . 0.0 112.044 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 124.744 1.218 . . . . 0.0 113.584 -172.781 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -59.94 142.2 54.15 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.979 0.895 . . . . 0.0 112.112 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -89.18 -10.95 45.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.007 1.323 . . . . 0.0 112.73 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -116.3 -22.28 8.91 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.048 1.339 . . . . 0.0 113.652 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -147.43 175.75 10.56 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.594 1.557 . . . . 0.0 112.268 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -82.54 36.41 0.48 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.125 1.37 . . . . 0.0 114.102 -173.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -102.85 141.74 35.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 114.645 -169.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -144.99 153.53 41.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.687 2.395 . . . . 0.0 110.842 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -140.06 177.89 7.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.282 1.433 . . . . 0.0 110.791 169.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -84.16 -24.14 30.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 m -88.28 149.97 23.51 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.082 0.953 . . . . 0.0 113.059 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.21 -35.04 77.66 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.11 -3.33 73.12 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.388 1.47 . . . . 0.0 115.983 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -58.23 -37.34 74.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.434 1.617 . . . . 0.0 113.867 -168.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.2 -39.1 89.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.853 0.861 . . . . 0.0 112.317 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.15 -47.79 82.96 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.455 0.702 . . . . 0.0 110.859 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.54 -41.57 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.069 0.548 . . . . 0.0 111.032 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.39 -47.1 86.74 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.894 0.77 . . . . 0.0 112.355 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.28 -41.96 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.285 -0.884 . . . . 0.0 110.808 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -76.73 -1.0 25.78 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -130.61 -38.52 1.32 Allowed 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.728 -1.233 . . . . 0.0 114.24 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.4 t -96.61 -38.68 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.517 1.127 . . . . 0.0 111.771 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -176.737 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -67.33 146.57 53.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.524 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.83 -11.81 56.48 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.942 1.297 . . . . 0.0 112.884 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -120.2 -21.66 6.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.616 1.167 . . . . 0.0 113.895 -169.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -149.53 -176.32 5.35 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.642 1.577 . . . . 0.0 112.309 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 p -86.36 21.84 1.98 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -76.24 145.49 39.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.014 1.325 . . . . 0.0 112.475 174.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 m -136.39 143.15 43.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.525 1.53 . . . . 0.0 109.403 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.04 159.66 14.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.06 0.944 . . . . 0.0 113.314 -173.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -81.15 -16.51 52.75 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 169.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -165.06 144.38 6.77 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 128.188 2.595 . . . . 0.0 108.45 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -54.46 -26.06 28.82 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.77 -35.05 80.23 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.469 -0.77 . . . . 0.0 113.668 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.04 -25.71 47.98 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.33 1.065 . . . . 0.0 112.125 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.39 -38.36 87.36 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 120.834 -1.166 . . . . 0.0 111.72 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.95 -43.3 98.89 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.658 -0.651 . . . . 0.0 111.499 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.88 -41.75 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.929 0.891 . . . . 0.0 111.671 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -58.62 -49.72 76.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.629 0.772 . . . . 0.0 111.549 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.32 -41.75 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.612 -0.68 . . . . 0.0 111.132 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.58 1.18 20.37 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -125.74 -44.36 1.81 Allowed 'General case' 0 N--CA 1.481 1.098 0 O-C-N 120.432 -1.418 . . . . 0.0 113.718 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -83.78 -30.22 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.096 0.958 . . . . 0.0 111.756 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 125.688 1.595 . . . . 0.0 111.805 -179.288 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -67.94 150.36 48.61 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.638 1.575 . . . . 0.0 112.727 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -94.99 -9.05 35.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.29 1.436 . . . . 0.0 112.74 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.14 -20.06 9.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.305 1.442 . . . . 0.0 113.644 -171.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.3 -178.57 6.59 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.864 1.666 . . . . 0.0 112.055 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -84.97 28.04 0.72 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -81.6 135.64 35.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.377 1.471 . . . . 0.0 112.708 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.1 m -111.59 147.16 36.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.778 1.631 . . . . 0.0 109.736 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 t -131.82 160.36 35.84 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.246 1.418 . . . . 0.0 113.019 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -83.4 -25.13 31.58 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.892 1.277 . . . . 0.0 113.217 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -154.52 148.8 26.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.996 1.319 . . . . 0.0 111.687 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -56.41 -34.85 67.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.204 1.002 . . . . 0.0 112.109 169.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.28 73.65 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.252 0.929 . . . . 0.0 114.236 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.95 -35.06 14.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.514 1.126 . . . . 0.0 111.389 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.68 -35.08 76.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.181 0.992 . . . . 0.0 112.007 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -54.31 -41.29 68.81 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.755 1.222 . . . . 0.0 112.208 170.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.75 -39.6 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.716 0.806 . . . . 0.0 111.093 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.82 -44.33 97.06 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.229 -0.919 . . . . 0.0 111.982 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.99 -27.19 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 120.933 -1.105 . . . . 0.0 112.325 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -102.23 -23.85 13.97 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -118.61 -44.56 2.64 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.222 1.409 . . . . 0.0 112.578 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.6 t -71.92 -52.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 167.189 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -68.4 152.87 44.79 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.587 1.155 . . . . 0.0 113.231 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 p -75.47 -12.39 60.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.918 1.287 . . . . 0.0 114.381 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.03 162.56 30.97 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.97 1.748 . . . . 0.0 112.269 174.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -156.68 159.85 38.79 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.873 1.269 . . . . 0.0 112.52 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 m -79.7 -44.44 20.81 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.436 0.694 . . . . 0.0 111.839 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.66 -127.95 31.73 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.409 1.004 . . . . 0.0 113.007 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -112.05 22.49 14.77 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.347 1.459 . . . . 0.0 111.745 169.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -84.31 155.92 22.16 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.654 1.582 . . . . 0.0 111.752 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -83.85 156.64 22.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.97 1.308 . . . . 0.0 111.075 173.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.85 148.31 52.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.453 1.101 . . . . 0.0 112.871 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.77 146.11 54.06 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 111.977 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.76 -10.04 54.51 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.716 1.206 . . . . 0.0 112.728 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.39 -24.39 5.89 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.979 1.311 . . . . 0.0 113.994 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.51 -178.69 6.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.354 1.462 . . . . 0.0 112.586 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -85.62 26.92 0.89 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -84.75 142.78 29.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.281 1.432 . . . . 0.0 112.586 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.1 p -137.99 149.72 46.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.168 1.387 . . . . 0.0 112.124 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -153.91 152.87 31.12 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.579 1.152 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 tp -78.6 -16.42 57.4 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -110.37 135.44 51.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.223 1.409 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -67.4 -31.83 72.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.113 0.965 . . . . 0.0 111.58 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.12 97.95 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.742 0.686 . . . . 0.0 112.07 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -66.6 -36.33 82.35 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.055 0.927 . . . . 0.0 111.893 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.09 -44.11 89.93 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.866 0.757 . . . . 0.0 111.779 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.75 -45.8 91.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.397 0.679 . . . . 0.0 111.633 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.02 -39.21 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.962 0.905 . . . . 0.0 112.001 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -60.63 -52.58 64.53 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.882 0.765 . . . . 0.0 111.285 174.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.48 -46.57 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.316 -0.865 . . . . 0.0 110.861 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.63 -15.31 63.37 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.664 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -118.76 -26.48 6.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.0 t -104.09 -40.25 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.939 . . . . 0.0 112.492 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -110.15 -24.59 10.64 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.15 0.98 . . . . 0.0 113.152 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -122.49 174.29 7.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.758 2.823 . . . . 0.0 108.306 168.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -137.38 156.42 48.23 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.84 1.256 . . . . 0.0 111.944 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.28 134.54 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.361 1.065 . . . . 0.0 109.666 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.924 1.69 . . . . 0.0 111.33 178.149 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -147.14 163.56 35.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.467 1.507 . . . . 0.0 112.278 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -148.31 156.86 43.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.941 1.296 . . . . 0.0 112.389 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.23 -16.79 6.93 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.298 1.428 . . . . 0.0 115.957 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -60.4 129.86 43.74 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.819 1.309 . . . . 0.0 111.925 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m 53.8 28.0 7.76 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.475 1.51 . . . . 0.0 114.782 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.2 154.02 51.72 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.573 1.082 . . . . 0.0 114.248 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.44 2.02 38.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.859 1.664 . . . . 0.0 114.398 -175.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -67.82 156.13 37.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.035 1.334 . . . . 0.0 113.29 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -102.61 156.03 17.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.171 2.189 . . . . 0.0 110.582 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.32 147.25 49.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.397 1.079 . . . . 0.0 112.887 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.65 147.49 51.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.957 1.303 . . . . 0.0 112.43 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -89.76 -10.17 46.56 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.002 1.321 . . . . 0.0 112.72 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.19 -24.58 6.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.052 1.341 . . . . 0.0 113.892 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.48 -177.75 5.79 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.482 1.513 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -86.17 25.78 1.12 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -83.24 145.02 29.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.496 1.519 . . . . 0.0 112.661 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -139.53 152.61 47.05 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.911 1.284 . . . . 0.0 112.058 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 p -151.08 164.63 36.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.913 1.285 . . . . 0.0 112.756 -177.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -81.02 -11.93 59.45 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 m -144.42 148.41 34.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.67 1.188 . . . . 0.0 112.701 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -66.78 -31.07 71.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.142 0.977 . . . . 0.0 113.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.41 -36.28 93.17 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.726 -0.609 . . . . 0.0 112.819 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -69.72 -37.69 76.63 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.745 -0.856 . . . . 0.0 111.314 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.38 -42.97 99.83 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.572 0.749 . . . . 0.0 111.71 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.78 -44.49 96.71 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.015 0.926 . . . . 0.0 111.308 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.77 -40.24 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.037 0.935 . . . . 0.0 112.046 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -59.18 -50.45 73.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.219 0.918 . . . . 0.0 111.336 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.51 -44.21 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.393 -0.817 . . . . 0.0 110.885 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.65 -26.22 67.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.792 1.237 . . . . 0.0 114.286 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -111.95 -28.33 8.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.317 0.962 . . . . 0.0 113.298 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -106.2 -29.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.478 1.111 . . . . 0.0 112.55 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -124.92 61.73 1.17 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 111.722 -172.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -55.8 136.93 50.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.015 1.326 . . . . 0.0 111.64 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -77.3 151.94 34.77 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.434 1.093 . . . . 0.0 112.276 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 pt -111.31 2.56 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 125.48 1.512 . . . . 0.0 114.108 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.785 1.634 . . . . 0.0 112.166 179.55 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -80.36 -13.41 59.19 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -146.3 162.88 37.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.892 1.677 . . . . 0.0 111.93 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.14 -38.46 1.14 Allowed Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.879 1.704 . . . . 0.0 115.667 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -135.21 24.47 3.53 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.249 1.82 . . . . 0.0 112.164 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -78.09 -13.07 60.01 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.546 1.538 . . . . 0.0 114.559 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.66 167.02 39.49 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.268 1.413 . . . . 0.0 112.957 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -149.09 144.54 26.73 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.963 1.305 . . . . 0.0 111.516 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -133.53 161.41 34.67 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.036 1.734 . . . . 0.0 111.335 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -126.08 155.12 42.08 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.321 1.848 . . . . 0.0 111.037 -170.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.19 146.55 40.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.426 1.09 . . . . 0.0 113.086 -173.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.0 149.0 50.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.198 1.399 . . . . 0.0 112.342 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -10.66 42.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.004 1.322 . . . . 0.0 112.776 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -118.86 -23.15 7.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.968 1.307 . . . . 0.0 113.899 -170.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -147.88 -177.37 5.69 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.516 1.526 . . . . 0.0 112.497 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.35 26.08 1.11 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.9 140.54 35.27 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.283 1.433 . . . . 0.0 112.342 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -137.27 151.78 49.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.443 1.497 . . . . 0.0 111.848 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.25 164.17 37.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.49 1.116 . . . . 0.0 113.538 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.602 ' H ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -84.95 -2.53 58.0 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -175.619 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -147.71 147.48 29.98 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.656 1.183 . . . . 0.0 112.43 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.62 -26.99 68.64 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.305 1.042 . . . . 0.0 112.195 170.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.0 -37.66 92.23 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.7 0.667 . . . . 0.0 112.699 171.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -68.58 -38.88 81.06 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.823 -0.81 . . . . 0.0 110.979 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.25 -44.9 95.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.685 0.794 . . . . 0.0 111.786 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -58.59 -50.14 74.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.159 0.984 . . . . 0.0 111.329 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.21 -41.01 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-O 118.803 -0.618 . . . . 0.0 111.413 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.97 -49.72 75.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.577 1.081 . . . . 0.0 111.785 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.02 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.561 -0.712 . . . . 0.0 110.94 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.3 -11.62 60.56 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -115.66 -41.65 3.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.131 . . . . 0.0 112.363 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.6 -40.47 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.433 1.093 . . . . 0.0 111.861 -173.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -101.54 81.11 2.14 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.318 1.047 . . . . 0.0 110.313 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -74.3 48.74 0.34 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.141 2.176 . . . . 0.0 114.334 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -81.52 -11.44 59.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.385 1.874 . . . . 0.0 113.727 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt -64.83 150.78 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 125.661 1.585 . . . . 0.0 112.457 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 pttp . . . . . 0 C--O 1.253 1.238 0 C-N-CA 126.222 1.809 . . . . 0.0 113.257 -179.15 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -81.05 -178.29 6.83 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.074 1.349 . . . . 0.0 112.559 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -61.23 -14.16 23.79 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 1.99 83.07 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.524 1.535 . . . . 0.0 115.323 171.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.1 m -62.63 152.72 34.37 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.04 1.42 . . . . 0.0 113.328 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.255 87.7 p 47.58 -90.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.938 2.495 . . . . 0.0 116.387 173.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.95 -169.74 55.03 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.02 1.295 . . . . 0.0 113.015 -169.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -147.18 148.05 31.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.092 0.957 . . . . 0.0 112.637 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -145.1 140.71 28.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.883 1.673 . . . . 0.0 109.853 169.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -80.43 130.34 35.1 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.292 0.637 . . . . 0.0 110.896 -169.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.46 146.18 39.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.503 1.121 . . . . 0.0 113.075 -172.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.97 148.99 47.12 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.116 1.366 . . . . 0.0 111.857 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -93.76 -8.66 40.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.949 1.3 . . . . 0.0 112.696 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -118.73 -20.7 8.17 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.055 1.342 . . . . 0.0 113.727 -169.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.18 -177.55 5.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.047 1.739 . . . . 0.0 112.052 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.1 m -86.48 27.37 0.96 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -78.93 135.87 37.09 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.895 1.278 . . . . 0.0 112.0 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -136.26 153.01 51.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.26 1.424 . . . . 0.0 111.316 171.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -149.83 164.0 36.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.323 1.049 . . . . 0.0 112.992 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.9 tp -94.99 -0.48 53.79 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.198 1.799 . . . . 0.0 113.128 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -129.8 138.33 50.98 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.317 1.447 . . . . 0.0 112.781 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -43.57 95.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.007 1.323 . . . . 0.0 111.661 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.6 97.55 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.766 0.698 . . . . 0.0 112.507 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -66.5 -36.94 83.95 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.996 -0.708 . . . . 0.0 112.147 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.89 -41.88 86.44 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.814 0.734 . . . . 0.0 112.192 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.2 -44.88 96.59 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 111.286 174.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.27 -39.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.266 1.026 . . . . 0.0 111.976 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.67 -53.35 58.46 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.821 0.737 . . . . 0.0 111.52 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.44 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 121.147 -0.971 . . . . 0.0 111.42 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.53 -26.77 68.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.404 1.482 . . . . 0.0 114.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -126.29 -27.84 3.16 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.85 -35.37 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.187 0.995 . . . . 0.0 111.484 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -111.29 20.86 16.9 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.923 1.289 . . . . 0.0 113.682 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -59.95 -13.63 12.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.275 1.83 . . . . 0.0 115.873 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -77.03 -11.5 59.81 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.702 1.601 . . . . 0.0 115.245 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.0 pt -69.02 156.51 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.907 0.883 . . . . 0.0 113.056 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt . . . . . 0 C--O 1.254 1.311 0 C-N-CA 127.354 2.262 . . . . 0.0 113.428 -178.75 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -66.03 145.21 56.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.404 1.082 . . . . 0.0 112.621 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -60.8 131.46 50.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.472 0.709 . . . . 0.0 111.683 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.87 16.71 40.36 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 124.387 0.994 . . . . 0.0 115.018 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m 54.53 33.94 20.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.504 1.522 . . . . 0.0 113.458 -169.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -63.13 147.73 49.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.613 1.165 . . . . 0.0 113.466 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.71 43.94 0.26 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.829 1.204 . . . . 0.0 112.849 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -79.65 63.97 4.38 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.011 1.325 . . . . 0.0 112.946 -169.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.35 -8.85 59.68 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -172.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -101.92 143.5 31.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.006 1.323 . . . . 0.0 111.021 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.32 144.84 38.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.289 1.036 . . . . 0.0 113.239 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.43 147.32 49.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.295 1.438 . . . . 0.0 112.349 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.09 -12.79 40.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.008 1.323 . . . . 0.0 112.631 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -114.23 -22.69 9.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 113.73 -170.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.17 -178.05 6.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.589 1.556 . . . . 0.0 112.443 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -85.19 25.8 0.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -79.23 139.7 37.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 112.079 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.3 p -135.09 153.74 51.92 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.433 1.493 . . . . 0.0 111.523 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -152.95 163.93 38.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.18 0.992 . . . . 0.0 112.415 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -91.3 5.08 50.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.831 1.653 . . . . 0.0 114.558 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 t -142.34 134.57 27.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.908 1.283 . . . . 0.0 112.189 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.46 -26.92 66.62 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.274 1.03 . . . . 0.0 113.158 170.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.16 -43.98 68.81 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.79 0.709 . . . . 0.0 111.917 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -68.34 -33.29 74.03 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.812 -0.817 . . . . 0.0 111.706 174.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.39 -38.46 91.12 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.316 -0.865 . . . . 0.0 112.268 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -62.15 -46.12 90.39 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.27 -0.894 . . . . 0.0 110.925 170.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.7 -37.48 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.459 1.027 . . . . 0.0 112.036 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -60.65 -51.69 68.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.14 0.882 . . . . 0.0 111.887 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.32 -43.0 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.054 -1.029 . . . . 0.0 111.763 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.21 -15.87 63.53 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.478 1.511 . . . . 0.0 114.33 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -118.37 -35.02 3.88 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.325 1.05 . . . . 0.0 113.573 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.5 t -94.13 -40.67 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.172 0.989 . . . . 0.0 112.178 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -104.49 -35.13 8.0 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -172.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -80.97 44.69 0.77 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.872 1.269 . . . . 0.0 112.008 169.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -88.58 -44.85 10.35 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.278 1.831 . . . . 0.0 112.674 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 tt -81.01 -34.52 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.302 1.041 . . . . 0.0 113.144 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.829 2.052 . . . . 0.0 110.954 179.706 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -148.22 154.29 39.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.039 1.336 . . . . 0.0 111.616 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m 56.11 21.48 5.18 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.297 1.839 . . . . 0.0 115.645 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.88 156.42 10.53 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.282 1.42 . . . . 0.0 113.129 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -84.41 -37.27 21.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.629 1.171 . . . . 0.0 113.327 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -144.16 -3.54 0.85 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.782 1.633 . . . . 0.0 114.199 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.42 -175.7 44.87 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.986 1.755 . . . . 0.0 111.967 -176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.65 150.35 46.09 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -137.71 153.3 49.79 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.001 1.72 . . . . 0.0 110.753 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -83.05 95.53 8.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.245 0.618 . . . . 0.0 110.915 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.21 146.01 39.97 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.745 1.218 . . . . 0.0 111.939 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -70.25 146.7 50.46 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.807 1.243 . . . . 0.0 111.739 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -93.34 -7.91 43.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.811 1.245 . . . . 0.0 112.646 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.75 -20.78 8.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.128 1.371 . . . . 0.0 113.473 -169.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -147.52 -178.99 6.54 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.234 1.813 . . . . 0.0 111.602 173.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -84.59 23.84 1.09 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -77.9 138.99 39.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.16 1.384 . . . . 0.0 112.891 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.0 p -125.82 143.57 51.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.061 1.744 . . . . 0.0 110.336 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -122.88 165.02 17.35 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.31 -13.42 30.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.43 1.492 . . . . 0.0 112.845 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t -153.04 144.39 23.24 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.927 1.291 . . . . 0.0 112.279 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.01 -31.15 71.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.228 1.011 . . . . 0.0 112.431 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.59 79.35 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.642 0.639 . . . . 0.0 112.499 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -72.48 -29.37 63.58 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.619 -0.93 . . . . 0.0 112.291 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.98 -40.09 94.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.159 -0.963 . . . . 0.0 111.943 170.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.05 -43.91 95.04 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.887 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.54 -41.87 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.778 0.717 . . . . 0.0 111.866 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -58.43 -45.63 88.12 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.018 0.827 . . . . 0.0 112.134 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.45 -47.49 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.349 -0.844 . . . . 0.0 111.165 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.16 -17.48 60.38 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.43 1.492 . . . . 0.0 114.196 -170.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtp85 -116.8 6.39 13.18 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.891 1.276 . . . . 0.0 113.174 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.16 -69.64 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.657 1.183 . . . . 0.0 110.419 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -75.81 -25.16 56.1 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -169.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -95.66 -9.46 31.97 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.74 1.216 . . . . 0.0 113.546 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -82.54 -40.66 20.67 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.004 1.322 . . . . 0.0 111.934 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 tp -71.16 134.91 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.455 0.702 . . . . 0.0 110.797 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.93 1.692 . . . . 0.0 111.551 -175.729 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -133.77 152.51 51.89 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.328 1.451 . . . . 0.0 112.035 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -150.52 166.76 29.21 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.151 1.38 . . . . 0.0 111.696 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.51 -33.06 1.6 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.937 1.732 . . . . 0.0 115.439 176.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 p -61.31 -27.54 68.56 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.308 1.443 . . . . 0.0 114.349 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -118.39 11.9 13.17 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.96 1.704 . . . . 0.0 112.899 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.25 -9.53 76.19 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.116 1.341 . . . . 0.0 115.003 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -133.95 156.08 48.78 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.714 1.605 . . . . 0.0 111.6 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -72.91 156.18 39.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.346 1.058 . . . . 0.0 112.976 177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -90.66 156.59 17.99 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.664 1.586 . . . . 0.0 110.873 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.76 141.02 40.94 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.051 0.941 . . . . 0.0 112.591 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.63 146.58 54.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.172 1.389 . . . . 0.0 112.184 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -86.41 -11.56 51.59 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.734 1.213 . . . . 0.0 112.787 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -117.67 -22.89 7.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.894 1.278 . . . . 0.0 113.985 -170.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.27 -179.12 6.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.558 1.543 . . . . 0.0 112.306 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -85.49 21.38 1.8 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -76.2 140.69 41.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.256 1.422 . . . . 0.0 112.259 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 p -127.07 150.44 49.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.378 1.471 . . . . 0.0 111.272 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.64 160.12 41.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -168.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.52 -21.73 32.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.163 . . . . 0.0 113.565 -173.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 p -148.41 160.18 43.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.463 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -63.86 -34.28 77.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.65 0.78 . . . . 0.0 112.257 174.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.02 87.01 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 123.848 0.737 . . . . 0.0 113.042 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.69 -27.62 62.19 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.926 -0.749 . . . . 0.0 111.743 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.13 -37.35 66.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.881 -1.137 . . . . 0.0 112.324 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -58.62 -45.58 88.92 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.403 -0.811 . . . . 0.0 111.478 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.24 -28.59 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.49 1.041 . . . . 0.0 113.082 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -63.91 -51.1 66.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.061 0.846 . . . . 0.0 110.547 168.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.28 -43.76 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.431 -0.793 . . . . 0.0 111.242 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.05 -14.82 63.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.52 1.528 . . . . 0.0 114.098 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.83 -33.56 5.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.777 1.231 . . . . 0.0 113.254 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -101.43 -30.12 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.359 1.063 . . . . 0.0 112.599 -173.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -124.38 0.07 8.26 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -63.9 -28.23 69.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.7 1.2 . . . . 0.0 113.152 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -124.45 159.89 29.48 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.829 2.051 . . . . 0.0 110.899 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.8 tp -141.42 154.47 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.516 1.527 . . . . 0.0 111.261 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.433 1.493 . . . . 0.0 112.784 -179.221 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -147.43 177.53 9.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.041 1.337 . . . . 0.0 112.194 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -71.54 -0.82 11.47 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.683 1.193 . . . . 0.0 114.043 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.49 166.78 42.82 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.125 1.345 . . . . 0.0 113.459 -174.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -71.22 -1.45 12.67 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -170.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -72.84 -25.07 60.99 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.31 1.044 . . . . 0.0 112.008 168.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.02 160.38 24.03 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.62 1.581 . . . . 0.0 112.585 169.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -81.4 126.89 32.17 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.699 -0.883 . . . . 0.0 111.789 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.74 159.12 40.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.224 1.81 . . . . 0.0 111.87 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -100.07 150.87 22.02 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.798 1.639 . . . . 0.0 110.473 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.16 146.34 40.47 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.257 1.023 . . . . 0.0 113.326 -173.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -71.47 147.48 47.77 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.05 1.34 . . . . 0.0 111.987 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -90.67 -10.66 42.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.942 1.297 . . . . 0.0 112.643 176.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -117.17 -21.2 8.92 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.923 1.289 . . . . 0.0 113.818 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -150.99 -178.0 6.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.749 1.619 . . . . 0.0 112.171 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -84.61 26.45 0.8 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -77.7 138.8 39.26 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.796 1.238 . . . . 0.0 112.001 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -138.35 153.42 48.97 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.037 1.335 . . . . 0.0 111.602 170.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -150.54 156.93 42.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.141 0.977 . . . . 0.0 112.361 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.523 ' H ' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -78.9 -2.46 40.01 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 169.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.7 t -128.86 132.43 47.75 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.456 1.502 . . . . 0.0 112.465 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -71.1 -23.67 62.16 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 112.95 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.79 -42.55 86.48 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.761 0.696 . . . . 0.0 112.124 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -65.77 -37.34 86.08 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.998 -0.707 . . . . 0.0 111.436 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -64.59 -39.24 93.37 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.658 0.663 . . . . 0.0 112.27 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.65 -44.53 96.79 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.394 -0.816 . . . . 0.0 111.105 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.07 -38.6 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.891 0.876 . . . . 0.0 111.928 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -61.0 -49.73 76.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.56 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.58 -38.74 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 120.983 -1.073 . . . . 0.0 110.963 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.33 -32.56 64.64 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -125.52 -31.52 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -168.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.1 -36.92 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.176 0.591 . . . . 0.0 110.527 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -98.81 -1.62 39.91 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 mptt 62.88 166.91 0.12 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 128.251 2.62 . . . . 0.0 115.421 172.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -61.91 143.49 56.35 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.569 1.547 . . . . 0.0 112.274 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.6 tp -99.84 148.81 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.111 1.764 . . . . 0.0 109.22 167.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.974 1.709 . . . . 0.0 114.145 -169.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -68.58 150.75 47.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.522 1.129 . . . . 0.0 113.124 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 p -78.97 165.89 22.96 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.978 1.311 . . . . 0.0 113.164 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.66 163.16 36.09 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.914 1.245 . . . . 0.0 112.928 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -70.33 139.51 52.03 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.187 0.995 . . . . 0.0 113.014 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -77.37 -16.95 58.61 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -170.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.86 23.35 0.61 Allowed Glycine 0 CA--C 1.535 1.284 0 N-CA-C 115.445 0.938 . . . . 0.0 115.445 -173.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -118.94 25.18 10.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.998 1.319 . . . . 0.0 112.791 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -142.27 149.99 40.29 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.973 1.709 . . . . 0.0 110.787 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -107.19 146.49 31.3 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.263 1.425 . . . . 0.0 110.655 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.27 144.05 38.2 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.239 1.015 . . . . 0.0 112.655 -174.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.71 146.68 54.49 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.168 1.387 . . . . 0.0 112.017 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -88.25 -8.8 54.67 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.625 1.17 . . . . 0.0 112.697 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -121.54 -22.78 5.79 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.944 1.297 . . . . 0.0 114.005 -169.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.56 -176.55 5.29 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.474 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.79 25.54 1.26 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -80.29 140.76 36.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.18 1.392 . . . . 0.0 112.288 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -136.02 151.49 49.93 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.2 1.4 . . . . 0.0 111.949 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -153.23 169.27 23.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.865 1.266 . . . . 0.0 112.903 -177.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.63 1.32 57.23 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -174.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -148.26 142.88 26.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.957 0.903 . . . . 0.0 113.162 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -60.18 -29.09 68.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.177 0.991 . . . . 0.0 112.734 169.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.8 -42.96 85.53 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.675 0.655 . . . . 0.0 112.126 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.56 87.06 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.908 -0.76 . . . . 0.0 111.519 174.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.28 -47.52 83.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.678 0.791 . . . . 0.0 111.9 173.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.72 -42.62 99.75 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.696 . . . . 0.0 112.218 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.63 -40.34 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.874 0.87 . . . . 0.0 111.568 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.23 -52.6 64.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.946 0.793 . . . . 0.0 111.5 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -58.55 -49.46 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.565 -0.71 . . . . 0.0 110.726 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.7 -20.09 65.23 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -174.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -104.99 -24.21 12.86 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.047 0.939 . . . . 0.0 113.073 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 t -110.8 -32.2 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.874 0.869 . . . . 0.0 113.214 -171.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -131.96 -25.07 2.08 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -170.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp 65.38 146.06 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.781 2.432 . . . . 0.0 111.769 -166.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 171.07 5.6 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.369 0.667 . . . . 0.0 111.993 169.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.4 tt -62.96 -26.62 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.793 1.637 . . . . 0.0 113.224 -178.748 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -76.84 160.86 28.9 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.96 1.304 . . . . 0.0 113.271 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 m -66.26 145.85 55.28 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.554 1.142 . . . . 0.0 112.816 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.9 139.17 30.88 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.964 0.793 . . . . 0.0 113.565 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -72.34 -15.0 61.88 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -71.89 -17.73 62.09 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -176.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.59 -165.21 50.35 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.297 0.951 . . . . 0.0 113.974 -176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -84.64 143.47 29.22 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.454 1.102 . . . . 0.0 112.601 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -123.36 139.62 53.85 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.115 1.766 . . . . 0.0 109.356 169.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.71 156.94 46.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.396 1.078 . . . . 0.0 113.122 -169.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.87 160.04 40.67 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.991 1.716 . . . . 0.0 111.626 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.67 140.63 58.89 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.823 0.82 . . . . 0.0 111.469 177.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -84.99 -10.06 57.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.447 1.099 . . . . 0.0 112.741 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -118.96 -22.89 7.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.064 1.345 . . . . 0.0 113.641 -170.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -147.18 -178.16 6.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.792 1.637 . . . . 0.0 111.715 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -86.26 23.85 1.48 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -82.77 139.3 33.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.567 1.147 . . . . 0.0 113.435 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.5 p -142.26 157.82 44.41 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.23 2.212 . . . . 0.0 110.207 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 t -144.73 168.31 20.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.636 0.775 . . . . 0.0 112.419 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.7 tp -73.01 -22.22 60.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.345 1.458 . . . . 0.0 113.003 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 t -137.64 143.2 41.27 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.272 1.429 . . . . 0.0 111.373 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -67.75 -22.67 65.21 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.348 1.059 . . . . 0.0 113.203 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.83 -38.23 94.96 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 119.247 0.931 . . . . 0.0 113.628 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -70.03 -36.47 75.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.764 0.826 . . . . 0.0 111.994 175.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.01 -34.96 73.99 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.129 0.972 . . . . 0.0 112.307 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -62.55 -53.9 47.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.293 1.037 . . . . 0.0 110.074 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.45 -28.41 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -58.1 -49.32 77.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 110.94 169.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.03 -42.54 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.056 -1.028 . . . . 0.0 111.428 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.89 -24.44 66.94 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -117.56 -28.79 5.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -98.49 -33.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 112.269 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -117.25 -27.74 6.36 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 -169.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -71.25 153.95 42.03 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.564 1.074 . . . . 0.0 111.88 169.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -141.78 171.11 14.51 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.134 1.773 . . . . 0.0 112.465 -176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.96 156.28 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.055 1.342 . . . . 0.0 113.295 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.343 1.857 . . . . 0.0 111.316 179.466 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -150.05 172.42 15.28 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.139 1.375 . . . . 0.0 111.811 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m 58.88 29.55 18.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.134 1.773 . . . . 0.0 115.302 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.62 -135.47 22.01 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.28 0.943 . . . . 0.0 113.851 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -59.83 138.2 57.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.979 1.312 . . . . 0.0 112.455 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -156.76 149.01 23.15 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.454 1.102 . . . . 0.0 112.76 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.22 -126.82 43.53 Favored Glycine 0 CA--C 1.535 1.325 0 O-C-N 121.616 -0.677 . . . . 0.0 112.123 -177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -88.17 -0.18 56.78 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -106.09 129.45 54.18 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.526 1.131 . . . . 0.0 111.773 -174.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -118.51 145.35 45.38 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.55 1.54 . . . . 0.0 110.882 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.08 144.66 48.75 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.374 1.07 . . . . 0.0 112.687 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.53 145.93 54.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.681 1.192 . . . . 0.0 111.685 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.38 -8.88 52.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.584 1.154 . . . . 0.0 112.726 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -121.71 -20.01 6.62 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.779 1.232 . . . . 0.0 114.217 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.71 -178.3 6.37 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.547 1.539 . . . . 0.0 112.31 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -84.57 28.27 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.51 141.72 30.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.257 1.423 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.5 p -136.46 147.74 47.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.471 1.508 . . . . 0.0 112.119 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.7 p -152.76 178.23 9.85 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.439 1.496 . . . . 0.0 113.117 -174.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.62 -6.07 34.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.6 p -155.53 162.93 40.59 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.63 -29.53 69.3 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.069 0.947 . . . . 0.0 112.044 169.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -46.77 86.64 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.148 0.88 . . . . 0.0 112.587 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -62.2 -40.21 95.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.211 1.006 . . . . 0.0 111.808 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.68 -44.22 96.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.977 0.911 . . . . 0.0 112.093 175.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.33 -46.42 90.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.876 0.87 . . . . 0.0 111.546 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.05 -40.87 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.634 0.773 . . . . 0.0 111.454 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.97 -49.58 77.11 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.977 0.808 . . . . 0.0 111.88 173.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.5 -43.23 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.396 -0.815 . . . . 0.0 111.285 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -74.81 -1.52 22.54 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -119.37 -37.52 3.16 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.453 -1.405 . . . . 0.0 113.563 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -97.61 -27.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.262 1.025 . . . . 0.0 112.619 -172.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -127.64 36.62 4.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.781 1.232 . . . . 0.0 113.298 -170.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -57.4 -20.28 28.85 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.428 1.491 . . . . 0.0 114.965 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -66.26 -21.69 66.29 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.263 1.825 . . . . 0.0 114.283 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.87 146.95 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.401 1.481 . . . . 0.0 110.863 171.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.1 mttm . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.25 1.42 . . . . 0.0 112.241 -169.396 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -67.91 148.89 50.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.577 1.151 . . . . 0.0 113.011 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 p -76.11 -30.19 58.14 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.565 1.146 . . . . 0.0 113.96 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.23 10.06 68.72 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.672 1.13 . . . . 0.0 114.941 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -79.86 -14.44 58.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.933 1.366 . . . . 0.0 114.649 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -138.85 -50.41 0.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.047 1.339 . . . . 0.0 113.188 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.62 -127.83 39.92 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.283 0.944 . . . . 0.0 113.011 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 57.98 39.03 26.87 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.597 1.559 . . . . 0.0 114.626 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -68.64 150.48 47.92 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.208 -0.932 . . . . 0.0 110.758 169.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -80.15 91.3 5.53 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 122.06 0.933 . . . . 0.0 110.099 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.39 158.01 44.89 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.167 1.787 . . . . 0.0 111.891 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.3 146.23 54.33 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.217 1.407 . . . . 0.0 112.086 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.74 -9.91 56.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.536 1.134 . . . . 0.0 112.792 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -119.92 -24.31 6.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.857 1.263 . . . . 0.0 113.963 -169.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -147.81 -178.25 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.382 1.473 . . . . 0.0 112.417 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 m -84.24 25.82 0.82 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -81.15 140.81 34.78 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 112.146 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -151.81 151.2 31.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.593 1.557 . . . . 0.0 110.193 170.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 t -147.5 150.64 34.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.971 0.908 . . . . 0.0 112.599 -173.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.68 -29.93 67.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 112.034 171.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -82.81 123.28 29.2 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.937 0.895 . . . . 0.0 111.703 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.8 -16.27 60.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.058 1.343 . . . . 0.0 112.587 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.06 -39.52 8.5 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.947 1.261 . . . . 0.0 112.779 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -62.53 -33.77 75.56 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.194 0.997 . . . . 0.0 111.935 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.63 -39.84 95.1 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.342 0.657 . . . . 0.0 112.451 173.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -67.78 -45.52 74.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.142 0.577 . . . . 0.0 110.751 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.77 -40.91 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.838 0.855 . . . . 0.0 111.547 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.23 -53.3 59.9 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.276 1.031 . . . . 0.0 111.742 174.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.34 -35.9 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.328 -0.858 . . . . 0.0 111.478 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.43 -10.63 59.78 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -122.82 -23.12 5.12 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -100.98 -33.16 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.189 0.996 . . . . 0.0 112.661 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -121.57 87.94 2.85 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 -169.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -139.46 165.59 26.82 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.303 1.841 . . . . 0.0 111.687 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -66.26 -18.32 65.28 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.308 1.443 . . . . 0.0 114.305 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.8 tp -132.04 141.06 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.971 1.708 . . . . 0.0 110.152 171.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 C--O 1.252 1.212 0 C-N-CA 126.436 1.894 . . . . 0.0 111.466 -174.671 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -69.12 -12.84 62.03 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -78.39 -5.53 52.59 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.814 1.645 . . . . 0.0 114.663 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.15 23.11 0.74 Allowed Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.942 1.734 . . . . 0.0 116.712 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -75.51 -10.03 59.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.452 1.501 . . . . 0.0 115.041 -174.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 m -132.43 154.61 49.68 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.613 1.565 . . . . 0.0 112.277 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.41 9.33 0.02 OUTLIER Glycine 0 CA--C 1.539 1.566 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -86.95 -1.5 57.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.985 1.714 . . . . 0.0 114.824 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -71.33 160.86 32.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.428 1.491 . . . . 0.0 113.33 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -127.63 130.34 48.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.273 1.429 . . . . 0.0 111.104 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.8 160.65 39.76 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.655 1.582 . . . . 0.0 112.029 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.84 145.08 51.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.999 1.32 . . . . 0.0 112.324 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -85.58 -10.27 56.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.408 1.083 . . . . 0.0 112.892 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -119.62 -20.27 7.77 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.864 1.265 . . . . 0.0 113.98 -171.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -148.68 177.84 9.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.301 1.44 . . . . 0.0 112.276 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -82.41 28.76 0.45 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.916 1.286 . . . . 0.0 114.418 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -84.65 134.48 34.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.144 1.378 . . . . 0.0 112.557 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -127.87 146.84 50.49 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.452 1.901 . . . . 0.0 108.851 174.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.6 166.9 21.85 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -169.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 tp -80.22 -22.65 41.6 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.303 1.441 . . . . 0.0 113.107 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -141.36 143.67 34.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.064 1.346 . . . . 0.0 111.855 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.63 -29.6 70.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.245 1.018 . . . . 0.0 111.866 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.37 -42.76 89.48 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 123.666 0.651 . . . . 0.0 112.466 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.6 -36.01 80.06 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.651 -0.911 . . . . 0.0 111.805 174.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.43 -38.79 92.25 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.56 -0.713 . . . . 0.0 112.321 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.42 -42.2 98.36 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.268 -0.895 . . . . 0.0 111.437 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.14 -38.0 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.776 0.83 . . . . 0.0 112.017 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.66 -52.85 63.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.145 0.884 . . . . 0.0 111.248 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -37.43 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.37 -0.831 . . . . 0.0 111.459 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.8 -24.87 64.45 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.884 1.274 . . . . 0.0 114.063 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -118.39 -30.71 5.15 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.56 -18.81 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.308 1.043 . . . . 0.0 112.666 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -127.36 127.56 44.44 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.266 1.426 . . . . 0.0 111.13 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -67.19 138.49 57.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.913 1.685 . . . . 0.0 111.964 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.14 150.71 30.11 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.254 1.422 . . . . 0.0 111.854 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 pt -133.84 158.99 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.647 1.579 . . . . 0.0 112.148 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.261 1.824 . . . . 0.0 111.247 179.465 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -77.93 -20.89 51.98 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -86.82 146.0 26.39 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.438 1.095 . . . . 0.0 112.149 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.77 152.2 50.16 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.895 0.76 . . . . 0.0 113.495 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -63.98 -25.27 68.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.271 1.028 . . . . 0.0 113.47 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -79.06 -6.54 56.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.665 1.586 . . . . 0.0 114.664 175.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.15 148.66 50.45 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.35 0.976 . . . . 0.0 113.762 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -148.13 145.51 28.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.01 1.324 . . . . 0.0 111.724 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -144.55 161.33 39.38 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.159 1.784 . . . . 0.0 111.396 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -93.79 131.5 39.1 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.887 0.875 . . . . 0.0 110.281 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.75 145.64 38.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.508 1.123 . . . . 0.0 112.803 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -69.99 147.92 49.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.119 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.25 -9.82 43.79 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.876 1.27 . . . . 0.0 112.727 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -118.13 -23.06 7.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.042 1.337 . . . . 0.0 113.736 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -146.97 -178.59 6.28 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.799 1.64 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 p -84.7 22.51 1.32 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -77.01 138.6 39.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.346 1.458 . . . . 0.0 112.452 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -130.45 152.85 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.696 1.598 . . . . 0.0 111.006 172.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -142.43 161.54 37.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.106 0.962 . . . . 0.0 113.376 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.89 -4.65 54.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 114.317 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 t -149.82 138.24 20.65 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.014 1.326 . . . . 0.0 112.106 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -63.86 -38.09 89.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 112.079 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.34 93.23 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.946 0.784 . . . . 0.0 112.616 177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -72.65 -33.97 66.95 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.678 -0.895 . . . . 0.0 112.06 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.41 -40.08 92.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.324 -0.86 . . . . 0.0 111.924 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.29 -43.44 96.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.411 -0.806 . . . . 0.0 111.155 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.48 -44.08 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.074 0.852 . . . . 0.0 111.481 172.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -56.09 -52.18 65.23 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.795 1.179 . . . . 0.0 111.601 175.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.12 -45.52 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.508 -0.745 . . . . 0.0 111.334 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.48 -17.29 61.25 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -102.36 -36.1 8.58 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.029 1.332 . . . . 0.0 111.616 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -106.47 -30.75 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.749 1.22 . . . . 0.0 112.772 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -120.89 49.2 1.5 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.024 1.33 . . . . 0.0 112.208 -172.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.26 162.88 11.31 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.426 1.49 . . . . 0.0 112.138 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -55.8 140.37 42.4 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.068 1.347 . . . . 0.0 112.677 -174.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 pt -83.53 40.7 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.017 1.727 . . . . 0.0 113.963 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.478 1.511 . . . . 0.0 112.11 178.584 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -83.33 174.92 10.28 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.816 1.246 . . . . 0.0 113.052 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -74.52 -5.72 44.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.073 1.349 . . . . 0.0 114.474 174.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.04 -156.65 53.58 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.864 1.221 . . . . 0.0 114.537 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.7 p -86.14 0.14 54.29 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.571 1.548 . . . . 0.0 114.771 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -60.99 143.27 55.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.717 1.207 . . . . 0.0 112.931 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.44 8.88 87.45 Favored Glycine 0 CA--C 1.539 1.59 0 N-CA-C 115.779 1.071 . . . . 0.0 115.779 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -69.17 -21.35 63.99 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.161 1.48 . . . . 0.0 113.614 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -144.45 162.36 36.71 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.618 2.367 . . . . 0.0 110.996 169.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -80.87 154.96 26.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 0.0 111.62 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.65 143.91 37.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.049 0.94 . . . . 0.0 113.132 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.81 147.45 51.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 112.062 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.69 -9.65 55.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.826 1.25 . . . . 0.0 113.119 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -123.0 -18.95 6.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 p -148.28 176.83 9.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.227 1.411 . . . . 0.0 112.371 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -81.76 26.41 0.5 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -81.7 135.47 35.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.225 1.41 . . . . 0.0 111.825 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -119.77 145.24 46.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.989 1.315 . . . . 0.0 110.746 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -131.55 153.94 49.34 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -167.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 tp -81.53 -26.21 35.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.443 1.497 . . . . 0.0 113.291 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.1 p -145.44 157.44 44.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.161 0.984 . . . . 0.0 113.143 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.09 -35.23 79.95 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.727 0.811 . . . . 0.0 112.048 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.08 -43.46 95.67 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.65 0.643 . . . . 0.0 112.984 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.08 -32.38 71.78 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 122.025 -0.691 . . . . 0.0 111.63 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -71.08 -38.72 72.43 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.969 -1.082 . . . . 0.0 112.726 173.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.31 -44.16 97.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 112.026 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.34 -30.23 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.04 0.836 . . . . 0.0 112.704 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.84 -53.09 61.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.159 0.89 . . . . 0.0 110.533 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.45 -41.86 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.526 -0.734 . . . . 0.0 111.57 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.17 -25.59 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.95 -27.31 8.85 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.174 0.897 . . . . 0.0 113.167 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -90.25 -62.06 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.71 0.804 . . . . 0.0 110.945 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -85.19 58.05 4.81 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.072 1.349 . . . . 0.0 114.191 -168.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -74.24 171.53 13.46 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.112 1.765 . . . . 0.0 112.313 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.2 -15.12 63.45 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.6 tt -145.65 148.26 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.008 1.323 . . . . 0.0 111.682 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.255 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -93.93 20.13 8.14 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.557 1.543 . . . . 0.0 114.355 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 p -74.03 153.23 39.77 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.306 1.442 . . . . 0.0 113.044 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.68 172.32 36.89 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.189 1.376 . . . . 0.0 112.519 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 p -66.12 -22.09 66.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 p -81.32 -19.68 42.36 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.398 1.479 . . . . 0.0 114.028 173.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.79 -158.1 37.51 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.9 1.238 . . . . 0.0 114.89 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 61.32 172.3 0.11 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.238 2.215 . . . . 0.0 116.131 177.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -140.43 164.85 29.02 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 128.165 2.586 . . . . 0.0 109.155 171.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -76.0 133.64 40.35 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.902 -0.499 . . . . 0.0 110.501 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.67 148.24 42.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.4 1.08 . . . . 0.0 112.923 -169.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.86 149.03 49.39 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.201 1.4 . . . . 0.0 112.454 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.33 -10.49 43.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.968 1.307 . . . . 0.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -118.77 -23.19 7.09 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.326 . . . . 0.0 113.81 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -147.39 -177.31 5.62 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.641 1.576 . . . . 0.0 112.344 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -85.91 22.11 1.77 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.8 137.94 42.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.2 1.4 . . . . 0.0 112.123 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.1 p -136.36 151.98 50.15 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.538 1.535 . . . . 0.0 111.343 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.4 p -151.36 169.1 22.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.3 tp -90.82 -7.53 52.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.556 1.542 . . . . 0.0 113.906 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -145.62 142.53 29.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.349 1.06 . . . . 0.0 112.962 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -61.38 -27.02 68.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.357 1.063 . . . . 0.0 112.55 171.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.36 97.4 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.485 0.584 . . . . 0.0 112.328 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -68.35 -36.43 79.21 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.831 -0.805 . . . . 0.0 111.71 175.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.82 -44.57 96.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.766 0.826 . . . . 0.0 112.099 172.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -62.0 -48.4 80.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.26 -38.47 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.356 1.062 . . . . 0.0 112.341 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.22 -56.53 20.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.759 0.824 . . . . 0.0 111.192 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 123.803 0.841 . . . . 0.0 111.438 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.49 -27.28 69.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.723 1.209 . . . . 0.0 113.746 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -110.29 -27.59 9.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -169.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.56 -17.54 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -173.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -115.73 15.4 16.46 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.43 135.51 55.31 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.949 0.899 . . . . 0.0 110.172 169.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -72.05 137.34 47.09 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.029 0.931 . . . . 0.0 112.07 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.9 mt -134.35 138.22 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.389 1.875 . . . . 0.0 108.666 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.332 0 C-N-CA 125.917 1.687 . . . . 0.0 111.773 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -147.29 163.7 35.57 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.279 1.432 . . . . 0.0 112.587 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -148.48 163.5 36.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.366 1.466 . . . . 0.0 111.437 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.98 140.26 39.74 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.425 1.012 . . . . 0.0 113.638 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.2 p -102.9 -1.15 30.05 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.528 1.531 . . . . 0.0 114.594 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -139.95 165.85 26.23 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.86 1.664 . . . . 0.0 112.928 -175.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.9 -29.38 0.14 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.196 0.903 . . . . 0.0 114.486 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.41 48.67 1.18 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.34 1.456 . . . . 0.0 112.487 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -79.34 52.66 1.38 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.225 1.81 . . . . 0.0 112.702 -173.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -80.37 138.05 36.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.218 1.407 . . . . 0.0 111.511 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.4 165.77 26.33 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.587 2.355 . . . . 0.0 111.052 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.16 141.71 53.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.775 0.797 . . . . 0.0 111.626 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.1 -10.33 55.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.347 1.059 . . . . 0.0 113.017 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -124.2 -16.7 6.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.02 -178.61 6.29 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.306 1.442 . . . . 0.0 111.919 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 p -85.88 23.04 1.53 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -80.81 141.32 34.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.837 1.255 . . . . 0.0 113.219 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -140.8 148.14 40.14 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.573 1.949 . . . . 0.0 110.839 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.21 152.39 43.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.367 1.067 . . . . 0.0 110.92 173.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.85 -41.33 78.6 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.941 0.896 . . . . 0.0 110.822 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.8 t -77.06 112.5 13.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.513 0.725 . . . . 0.0 110.464 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -74.91 -19.45 60.13 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.87 -0.519 . . . . 0.0 112.291 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.96 80.53 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.022 0.82 . . . . 0.0 111.732 168.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -66.58 -36.6 83.02 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.518 -0.989 . . . . 0.0 112.004 172.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.49 -40.28 92.91 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.474 -0.766 . . . . 0.0 112.608 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.53 -43.57 93.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.791 0.837 . . . . 0.0 111.408 172.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.14 -43.99 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.006 -0.997 . . . . 0.0 111.413 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -54.55 -50.05 68.85 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.422 1.464 . . . . 0.0 111.732 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.8 -41.8 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.684 -0.635 . . . . 0.0 110.968 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -80.16 -10.71 59.77 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -114.81 -35.13 4.91 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.124 1.37 . . . . 0.0 113.145 -174.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.76 -31.56 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.592 1.157 . . . . 0.0 112.044 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -109.85 30.2 6.91 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.744 1.218 . . . . 0.0 113.584 -172.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.75 142.97 58.24 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.365 -0.834 . . . . 0.0 110.602 169.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 51.4 34.81 12.63 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.87 1.668 . . . . 0.0 113.946 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.39 146.54 13.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 124.927 1.291 . . . . 0.0 112.286 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.3 tptt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.743 1.617 . . . . 0.0 112.677 -176.841 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -148.38 156.68 42.8 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.168 1.387 . . . . 0.0 111.736 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -152.22 158.5 42.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.578 1.551 . . . . 0.0 111.505 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.3 4.94 75.48 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.803 1.192 . . . . 0.0 115.661 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -141.62 34.28 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.949 1.7 . . . . 0.0 111.142 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -79.2 52.89 1.38 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.799 2.04 . . . . 0.0 114.356 -168.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.41 20.93 78.36 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.587 1.089 . . . . 0.0 115.415 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.67 132.96 40.91 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.759 1.279 . . . . 0.0 112.481 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.58 147.93 27.38 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.221 1.808 . . . . 0.0 111.308 175.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -108.19 156.25 19.54 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.85 1.26 . . . . 0.0 113.445 -170.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.36 161.56 24.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.405 1.482 . . . . 0.0 113.971 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -59.94 142.2 54.15 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.979 0.895 . . . . 0.0 112.112 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -89.18 -10.95 45.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.007 1.323 . . . . 0.0 112.73 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -116.3 -22.28 8.91 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.048 1.339 . . . . 0.0 113.652 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -147.43 175.75 10.56 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.594 1.557 . . . . 0.0 112.268 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -82.54 36.41 0.48 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.125 1.37 . . . . 0.0 114.102 -173.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -102.85 141.74 35.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 114.645 -169.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -144.99 153.53 41.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.687 2.395 . . . . 0.0 110.842 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -140.06 177.89 7.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.282 1.433 . . . . 0.0 110.791 169.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -84.16 -24.14 30.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 m -88.28 149.97 23.51 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.082 0.953 . . . . 0.0 113.059 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.21 -35.04 77.66 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.11 -3.33 73.12 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.388 1.47 . . . . 0.0 115.983 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -58.23 -37.34 74.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.434 1.617 . . . . 0.0 113.867 -168.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.2 -39.1 89.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.853 0.861 . . . . 0.0 112.317 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.15 -47.79 82.96 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.455 0.702 . . . . 0.0 110.859 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.54 -41.57 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.069 0.548 . . . . 0.0 111.032 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.39 -47.1 86.74 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.894 0.77 . . . . 0.0 112.355 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.28 -41.96 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.285 -0.884 . . . . 0.0 110.808 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -76.73 -1.0 25.78 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -130.61 -38.52 1.32 Allowed 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.728 -1.233 . . . . 0.0 114.24 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.4 t -96.61 -38.68 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.517 1.127 . . . . 0.0 111.771 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -104.89 4.08 31.61 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -78.81 53.31 1.35 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.015 1.726 . . . . 0.0 111.836 174.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -81.11 162.71 23.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.591 1.556 . . . . 0.0 113.435 -175.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -90.75 137.19 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.88 1.272 . . . . 0.0 108.735 169.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.0 pttt . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.861 1.665 . . . . 0.0 112.662 178.231 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -62.94 -19.84 64.64 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -172.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -78.53 -5.17 51.93 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.083 1.353 . . . . 0.0 114.288 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.8 158.81 46.8 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.488 1.042 . . . . 0.0 114.279 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -144.11 164.06 31.77 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.368 1.467 . . . . 0.0 113.174 -175.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 m -71.44 160.42 32.77 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.325 1.45 . . . . 0.0 113.862 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.84 -174.12 55.27 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.747 1.165 . . . . 0.0 113.962 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -144.88 158.65 43.72 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.371 1.068 . . . . 0.0 113.003 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.0 66.66 1.2 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.41 1.884 . . . . 0.0 110.492 -172.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -81.91 160.95 23.28 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.998 1.319 . . . . 0.0 113.872 -169.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.09 157.44 15.89 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.059 1.344 . . . . 0.0 113.287 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -67.33 146.57 53.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.524 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.83 -11.81 56.48 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.942 1.297 . . . . 0.0 112.884 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -120.2 -21.66 6.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.616 1.167 . . . . 0.0 113.895 -169.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -149.53 -176.32 5.35 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.642 1.577 . . . . 0.0 112.309 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 p -86.36 21.84 1.98 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -76.24 145.49 39.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.014 1.325 . . . . 0.0 112.475 174.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 m -136.39 143.15 43.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.525 1.53 . . . . 0.0 109.403 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.04 159.66 14.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.06 0.944 . . . . 0.0 113.314 -173.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -81.15 -16.51 52.75 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 169.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -165.06 144.38 6.77 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 128.188 2.595 . . . . 0.0 108.45 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -54.46 -26.06 28.82 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.77 -35.05 80.23 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.469 -0.77 . . . . 0.0 113.668 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.04 -25.71 47.98 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.33 1.065 . . . . 0.0 112.125 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.39 -38.36 87.36 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 120.834 -1.166 . . . . 0.0 111.72 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.95 -43.3 98.89 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.658 -0.651 . . . . 0.0 111.499 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.88 -41.75 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.929 0.891 . . . . 0.0 111.671 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -58.62 -49.72 76.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.629 0.772 . . . . 0.0 111.549 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.32 -41.75 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.612 -0.68 . . . . 0.0 111.132 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.58 1.18 20.37 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -125.74 -44.36 1.81 Allowed 'General case' 0 N--CA 1.481 1.098 0 O-C-N 120.432 -1.418 . . . . 0.0 113.718 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -83.78 -30.22 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.096 0.958 . . . . 0.0 111.756 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -125.03 31.35 5.65 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.688 1.595 . . . . 0.0 111.805 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -55.67 -17.76 6.49 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.381 2.272 . . . . 0.0 115.905 -168.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -56.82 -41.16 77.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.631 1.172 . . . . 0.0 112.235 169.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.265 64.2 mt 51.21 -84.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 128.399 2.68 . . . . 0.0 113.716 178.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.905 2.082 . . . . 0.0 111.252 179.061 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -66.65 152.26 45.73 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.672 1.189 . . . . 0.0 113.125 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -148.17 153.3 38.61 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.232 1.413 . . . . 0.0 111.929 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.59 -14.72 82.18 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.329 0.966 . . . . 0.0 114.231 172.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 m -72.47 145.48 47.53 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.517 1.158 . . . . 0.0 112.634 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -109.9 158.48 18.15 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.781 1.632 . . . . 0.0 113.34 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.74 -163.22 33.21 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.961 1.267 . . . . 0.0 114.052 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 55.62 37.78 29.32 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.6 1.56 . . . . 0.0 114.141 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -64.39 158.01 24.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.196 1.399 . . . . 0.0 113.321 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -80.93 118.54 22.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.723 0.809 . . . . 0.0 109.707 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.93 150.03 44.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.005 0.922 . . . . 0.0 112.93 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -67.94 150.36 48.61 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.638 1.575 . . . . 0.0 112.727 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -94.99 -9.05 35.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.29 1.436 . . . . 0.0 112.74 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.14 -20.06 9.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.305 1.442 . . . . 0.0 113.644 -171.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.3 -178.57 6.59 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.864 1.666 . . . . 0.0 112.055 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -84.97 28.04 0.72 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -81.6 135.64 35.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.377 1.471 . . . . 0.0 112.708 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.1 m -111.59 147.16 36.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.778 1.631 . . . . 0.0 109.736 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 t -131.82 160.36 35.84 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.246 1.418 . . . . 0.0 113.019 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -83.4 -25.13 31.58 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.892 1.277 . . . . 0.0 113.217 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -154.52 148.8 26.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.996 1.319 . . . . 0.0 111.687 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -56.41 -34.85 67.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.204 1.002 . . . . 0.0 112.109 169.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.28 73.65 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.252 0.929 . . . . 0.0 114.236 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.95 -35.06 14.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.514 1.126 . . . . 0.0 111.389 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.68 -35.08 76.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.181 0.992 . . . . 0.0 112.007 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -54.31 -41.29 68.81 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.755 1.222 . . . . 0.0 112.208 170.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.75 -39.6 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.716 0.806 . . . . 0.0 111.093 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.82 -44.33 97.06 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.229 -0.919 . . . . 0.0 111.982 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.99 -27.19 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 120.933 -1.105 . . . . 0.0 112.325 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -102.23 -23.85 13.97 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -118.61 -44.56 2.64 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.222 1.409 . . . . 0.0 112.578 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.6 t -71.92 -52.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -81.64 125.58 30.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 167.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -78.48 51.46 1.05 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.474 1.91 . . . . 0.0 112.207 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -78.52 54.03 1.4 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.484 2.313 . . . . 0.0 111.522 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.1 pt -123.55 5.52 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.886 1.674 . . . . 0.0 114.104 -169.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.493 1.917 . . . . 0.0 111.426 178.17 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.595 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.77 146.11 54.06 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 111.977 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.76 -10.04 54.51 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.716 1.206 . . . . 0.0 112.728 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.39 -24.39 5.89 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.979 1.311 . . . . 0.0 113.994 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.51 -178.69 6.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.354 1.462 . . . . 0.0 112.586 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -85.62 26.92 0.89 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -84.75 142.78 29.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.281 1.432 . . . . 0.0 112.586 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.1 p -137.99 149.72 46.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.168 1.387 . . . . 0.0 112.124 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -153.91 152.87 31.12 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.579 1.152 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 tp -78.6 -16.42 57.4 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -110.37 135.44 51.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.223 1.409 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -67.4 -31.83 72.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.113 0.965 . . . . 0.0 111.58 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.12 97.95 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.742 0.686 . . . . 0.0 112.07 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -66.6 -36.33 82.35 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.055 0.927 . . . . 0.0 111.893 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.09 -44.11 89.93 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.866 0.757 . . . . 0.0 111.779 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.75 -45.8 91.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.397 0.679 . . . . 0.0 111.633 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.02 -39.21 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.962 0.905 . . . . 0.0 112.001 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -60.63 -52.58 64.53 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.882 0.765 . . . . 0.0 111.285 174.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.48 -46.57 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.316 -0.865 . . . . 0.0 110.861 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.63 -15.31 63.37 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.664 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -118.76 -26.48 6.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.0 t -104.09 -40.25 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.939 . . . . 0.0 112.492 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 . . . . . 0 N--CA 1.477 0.903 0 C-N-CA 124.15 0.98 . . . . 0.0 113.152 -175.526 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.597 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.65 147.49 51.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.957 1.303 . . . . 0.0 112.43 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -89.76 -10.17 46.56 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.002 1.321 . . . . 0.0 112.72 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.19 -24.58 6.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.052 1.341 . . . . 0.0 113.892 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.48 -177.75 5.79 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.482 1.513 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -86.17 25.78 1.12 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -83.24 145.02 29.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.496 1.519 . . . . 0.0 112.661 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -139.53 152.61 47.05 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.911 1.284 . . . . 0.0 112.058 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 p -151.08 164.63 36.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.913 1.285 . . . . 0.0 112.756 -177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -81.02 -11.93 59.45 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 m -144.42 148.41 34.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.67 1.188 . . . . 0.0 112.701 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -66.78 -31.07 71.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.142 0.977 . . . . 0.0 113.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.41 -36.28 93.17 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.726 -0.609 . . . . 0.0 112.819 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -69.72 -37.69 76.63 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.745 -0.856 . . . . 0.0 111.314 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.38 -42.97 99.83 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.572 0.749 . . . . 0.0 111.71 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.78 -44.49 96.71 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.015 0.926 . . . . 0.0 111.308 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.77 -40.24 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.037 0.935 . . . . 0.0 112.046 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -59.18 -50.45 73.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.219 0.918 . . . . 0.0 111.336 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.51 -44.21 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.393 -0.817 . . . . 0.0 110.885 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.65 -26.22 67.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.792 1.237 . . . . 0.0 114.286 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -111.95 -28.33 8.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.317 0.962 . . . . 0.0 113.298 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -106.2 -29.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.478 1.111 . . . . 0.0 112.55 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 111.722 -172.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.612 0 N-CA-C 113.086 0.773 . . . . 0.0 113.086 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.0 149.0 50.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.198 1.399 . . . . 0.0 112.342 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -10.66 42.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.004 1.322 . . . . 0.0 112.776 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -118.86 -23.15 7.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.968 1.307 . . . . 0.0 113.899 -170.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -147.88 -177.37 5.69 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.516 1.526 . . . . 0.0 112.497 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.35 26.08 1.11 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.9 140.54 35.27 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.283 1.433 . . . . 0.0 112.342 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -137.27 151.78 49.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.443 1.497 . . . . 0.0 111.848 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.25 164.17 37.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.49 1.116 . . . . 0.0 113.538 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.602 HD13 ' H ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -84.95 -2.53 58.0 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -175.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -147.71 147.48 29.98 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.656 1.183 . . . . 0.0 112.43 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.62 -26.99 68.64 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.305 1.042 . . . . 0.0 112.195 170.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.0 -37.66 92.23 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.7 0.667 . . . . 0.0 112.699 171.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -68.58 -38.88 81.06 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.823 -0.81 . . . . 0.0 110.979 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.25 -44.9 95.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.685 0.794 . . . . 0.0 111.786 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -58.59 -50.14 74.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.159 0.984 . . . . 0.0 111.329 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.21 -41.01 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-O 118.803 -0.618 . . . . 0.0 111.413 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.97 -49.72 75.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.577 1.081 . . . . 0.0 111.785 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.02 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.561 -0.712 . . . . 0.0 110.94 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.3 -11.62 60.56 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -115.66 -41.65 3.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.131 . . . . 0.0 112.363 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.6 -40.47 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.433 1.093 . . . . 0.0 111.861 -173.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 . . . . . 0 N--CA 1.468 0.475 0 C-N-CA 124.318 1.047 . . . . 0.0 110.313 -176.575 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.97 148.99 47.12 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.116 1.366 . . . . 0.0 111.857 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -93.76 -8.66 40.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.949 1.3 . . . . 0.0 112.696 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -118.73 -20.7 8.17 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.055 1.342 . . . . 0.0 113.727 -169.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.18 -177.55 5.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.047 1.739 . . . . 0.0 112.052 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.1 m -86.48 27.37 0.96 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -78.93 135.87 37.09 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.895 1.278 . . . . 0.0 112.0 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -136.26 153.01 51.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.26 1.424 . . . . 0.0 111.316 171.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -149.83 164.0 36.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.323 1.049 . . . . 0.0 112.992 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.9 tp -94.99 -0.48 53.79 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.198 1.799 . . . . 0.0 113.128 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -129.8 138.33 50.98 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.317 1.447 . . . . 0.0 112.781 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -43.57 95.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.007 1.323 . . . . 0.0 111.661 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.6 97.55 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.766 0.698 . . . . 0.0 112.507 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -66.5 -36.94 83.95 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.996 -0.708 . . . . 0.0 112.147 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.89 -41.88 86.44 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.814 0.734 . . . . 0.0 112.192 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.2 -44.88 96.59 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 111.286 174.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.27 -39.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.266 1.026 . . . . 0.0 111.976 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.67 -53.35 58.46 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.821 0.737 . . . . 0.0 111.52 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.44 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 121.147 -0.971 . . . . 0.0 111.42 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.53 -26.77 68.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.404 1.482 . . . . 0.0 114.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -126.29 -27.84 3.16 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.85 -35.37 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.187 0.995 . . . . 0.0 111.484 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 . . . . . 0 N--CA 1.474 0.742 0 C-N-CA 124.923 1.289 . . . . 0.0 113.682 -176.082 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.43 147.32 49.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.295 1.438 . . . . 0.0 112.349 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.09 -12.79 40.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.008 1.323 . . . . 0.0 112.631 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -114.23 -22.69 9.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 113.73 -170.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.17 -178.05 6.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.589 1.556 . . . . 0.0 112.443 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -85.19 25.8 0.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -79.23 139.7 37.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 112.079 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.3 p -135.09 153.74 51.92 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.433 1.493 . . . . 0.0 111.523 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -152.95 163.93 38.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.18 0.992 . . . . 0.0 112.415 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -91.3 5.08 50.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.831 1.653 . . . . 0.0 114.558 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 t -142.34 134.57 27.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.908 1.283 . . . . 0.0 112.189 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.46 -26.92 66.62 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.274 1.03 . . . . 0.0 113.158 170.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.16 -43.98 68.81 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.79 0.709 . . . . 0.0 111.917 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -68.34 -33.29 74.03 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.812 -0.817 . . . . 0.0 111.706 174.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.39 -38.46 91.12 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.316 -0.865 . . . . 0.0 112.268 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -62.15 -46.12 90.39 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.27 -0.894 . . . . 0.0 110.925 170.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.7 -37.48 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.459 1.027 . . . . 0.0 112.036 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -60.65 -51.69 68.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.14 0.882 . . . . 0.0 111.887 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.32 -43.0 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.054 -1.029 . . . . 0.0 111.763 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.21 -15.87 63.53 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.478 1.511 . . . . 0.0 114.33 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -118.37 -35.02 3.88 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.325 1.05 . . . . 0.0 113.573 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.5 t -94.13 -40.67 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.172 0.989 . . . . 0.0 112.178 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -172.783 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.653 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -70.25 146.7 50.46 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.807 1.243 . . . . 0.0 111.739 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -93.34 -7.91 43.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.811 1.245 . . . . 0.0 112.646 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.75 -20.78 8.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.128 1.371 . . . . 0.0 113.473 -169.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -147.52 -178.99 6.54 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.234 1.813 . . . . 0.0 111.602 173.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -84.59 23.84 1.09 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -77.9 138.99 39.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.16 1.384 . . . . 0.0 112.891 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.0 p -125.82 143.57 51.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.061 1.744 . . . . 0.0 110.336 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -122.88 165.02 17.35 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.31 -13.42 30.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.43 1.492 . . . . 0.0 112.845 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t -153.04 144.39 23.24 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.927 1.291 . . . . 0.0 112.279 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.01 -31.15 71.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.228 1.011 . . . . 0.0 112.431 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.59 79.35 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.642 0.639 . . . . 0.0 112.499 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -72.48 -29.37 63.58 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.619 -0.93 . . . . 0.0 112.291 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.98 -40.09 94.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.159 -0.963 . . . . 0.0 111.943 170.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.05 -43.91 95.04 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.887 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.54 -41.87 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.778 0.717 . . . . 0.0 111.866 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -58.43 -45.63 88.12 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.018 0.827 . . . . 0.0 112.134 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.45 -47.49 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.349 -0.844 . . . . 0.0 111.165 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.16 -17.48 60.38 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.43 1.492 . . . . 0.0 114.196 -170.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtp85 -116.8 6.39 13.18 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.891 1.276 . . . . 0.0 113.174 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.16 -69.64 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.657 1.183 . . . . 0.0 110.419 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -169.679 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.599 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.63 146.58 54.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.172 1.389 . . . . 0.0 112.184 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -86.41 -11.56 51.59 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.734 1.213 . . . . 0.0 112.787 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -117.67 -22.89 7.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.894 1.278 . . . . 0.0 113.985 -170.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.27 -179.12 6.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.558 1.543 . . . . 0.0 112.306 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -85.49 21.38 1.8 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -76.2 140.69 41.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.256 1.422 . . . . 0.0 112.259 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 p -127.07 150.44 49.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.378 1.471 . . . . 0.0 111.272 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.64 160.12 41.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -168.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.52 -21.73 32.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.163 . . . . 0.0 113.565 -173.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 p -148.41 160.18 43.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.463 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -63.86 -34.28 77.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.65 0.78 . . . . 0.0 112.257 174.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.02 87.01 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 123.848 0.737 . . . . 0.0 113.042 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.69 -27.62 62.19 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.926 -0.749 . . . . 0.0 111.743 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.13 -37.35 66.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.881 -1.137 . . . . 0.0 112.324 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -58.62 -45.58 88.92 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.403 -0.811 . . . . 0.0 111.478 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.24 -28.59 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.49 1.041 . . . . 0.0 113.082 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -63.91 -51.1 66.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.061 0.846 . . . . 0.0 110.547 168.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.28 -43.76 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.431 -0.793 . . . . 0.0 111.242 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.05 -14.82 63.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.52 1.528 . . . . 0.0 114.098 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.83 -33.56 5.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.777 1.231 . . . . 0.0 113.254 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -101.43 -30.12 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.359 1.063 . . . . 0.0 112.599 -173.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.246 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -71.47 147.48 47.77 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.05 1.34 . . . . 0.0 111.987 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -90.67 -10.66 42.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.942 1.297 . . . . 0.0 112.643 176.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -117.17 -21.2 8.92 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.923 1.289 . . . . 0.0 113.818 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -150.99 -178.0 6.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.749 1.619 . . . . 0.0 112.171 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -84.61 26.45 0.8 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -77.7 138.8 39.26 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.796 1.238 . . . . 0.0 112.001 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -138.35 153.42 48.97 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.037 1.335 . . . . 0.0 111.602 170.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -150.54 156.93 42.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.141 0.977 . . . . 0.0 112.361 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.523 HD13 ' H ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -78.9 -2.46 40.01 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 169.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.7 t -128.86 132.43 47.75 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.456 1.502 . . . . 0.0 112.465 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -71.1 -23.67 62.16 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 112.95 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.79 -42.55 86.48 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.761 0.696 . . . . 0.0 112.124 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -65.77 -37.34 86.08 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.998 -0.707 . . . . 0.0 111.436 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -64.59 -39.24 93.37 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.658 0.663 . . . . 0.0 112.27 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.65 -44.53 96.79 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.394 -0.816 . . . . 0.0 111.105 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.07 -38.6 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.891 0.876 . . . . 0.0 111.928 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -61.0 -49.73 76.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.56 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.58 -38.74 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 120.983 -1.073 . . . . 0.0 110.963 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.33 -32.56 64.64 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -125.52 -31.52 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -168.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.1 -36.92 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.176 0.591 . . . . 0.0 110.527 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 169.767 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.71 146.68 54.49 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.168 1.387 . . . . 0.0 112.017 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -88.25 -8.8 54.67 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.625 1.17 . . . . 0.0 112.697 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -121.54 -22.78 5.79 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.944 1.297 . . . . 0.0 114.005 -169.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.56 -176.55 5.29 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.474 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.79 25.54 1.26 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -80.29 140.76 36.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.18 1.392 . . . . 0.0 112.288 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -136.02 151.49 49.93 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.2 1.4 . . . . 0.0 111.949 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -153.23 169.27 23.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.865 1.266 . . . . 0.0 112.903 -177.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.63 1.32 57.23 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -174.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -148.26 142.88 26.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.957 0.903 . . . . 0.0 113.162 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -60.18 -29.09 68.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.177 0.991 . . . . 0.0 112.734 169.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.8 -42.96 85.53 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.675 0.655 . . . . 0.0 112.126 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.56 87.06 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.908 -0.76 . . . . 0.0 111.519 174.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.28 -47.52 83.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.678 0.791 . . . . 0.0 111.9 173.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.72 -42.62 99.75 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.696 . . . . 0.0 112.218 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.63 -40.34 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.874 0.87 . . . . 0.0 111.568 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.23 -52.6 64.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.946 0.793 . . . . 0.0 111.5 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -58.55 -49.46 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.565 -0.71 . . . . 0.0 110.726 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.7 -20.09 65.23 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -174.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -104.99 -24.21 12.86 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.047 0.939 . . . . 0.0 113.073 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 t -110.8 -32.2 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.874 0.869 . . . . 0.0 113.214 -171.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -170.012 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.67 140.63 58.89 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.823 0.82 . . . . 0.0 111.469 177.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -84.99 -10.06 57.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.447 1.099 . . . . 0.0 112.741 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -118.96 -22.89 7.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.064 1.345 . . . . 0.0 113.641 -170.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -147.18 -178.16 6.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.792 1.637 . . . . 0.0 111.715 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -86.26 23.85 1.48 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -82.77 139.3 33.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.567 1.147 . . . . 0.0 113.435 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.5 p -142.26 157.82 44.41 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.23 2.212 . . . . 0.0 110.207 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 t -144.73 168.31 20.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.636 0.775 . . . . 0.0 112.419 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.7 tp -73.01 -22.22 60.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.345 1.458 . . . . 0.0 113.003 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 t -137.64 143.2 41.27 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.272 1.429 . . . . 0.0 111.373 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -67.75 -22.67 65.21 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.348 1.059 . . . . 0.0 113.203 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.83 -38.23 94.96 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 119.247 0.931 . . . . 0.0 113.628 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -70.03 -36.47 75.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.764 0.826 . . . . 0.0 111.994 175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.01 -34.96 73.99 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.129 0.972 . . . . 0.0 112.307 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -62.55 -53.9 47.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.293 1.037 . . . . 0.0 110.074 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.45 -28.41 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -58.1 -49.32 77.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 110.94 169.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.03 -42.54 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.056 -1.028 . . . . 0.0 111.428 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.89 -24.44 66.94 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -117.56 -28.79 5.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -98.49 -33.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 112.269 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 -169.924 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.53 145.93 54.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.681 1.192 . . . . 0.0 111.685 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.38 -8.88 52.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.584 1.154 . . . . 0.0 112.726 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -121.71 -20.01 6.62 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.779 1.232 . . . . 0.0 114.217 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.71 -178.3 6.37 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.547 1.539 . . . . 0.0 112.31 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -84.57 28.27 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.51 141.72 30.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.257 1.423 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.5 p -136.46 147.74 47.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.471 1.508 . . . . 0.0 112.119 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.7 p -152.76 178.23 9.85 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.439 1.496 . . . . 0.0 113.117 -174.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.62 -6.07 34.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.6 p -155.53 162.93 40.59 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.63 -29.53 69.3 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.069 0.947 . . . . 0.0 112.044 169.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -46.77 86.64 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.148 0.88 . . . . 0.0 112.587 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -62.2 -40.21 95.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.211 1.006 . . . . 0.0 111.808 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.68 -44.22 96.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.977 0.911 . . . . 0.0 112.093 175.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.33 -46.42 90.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.876 0.87 . . . . 0.0 111.546 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.05 -40.87 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.634 0.773 . . . . 0.0 111.454 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.97 -49.58 77.11 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.977 0.808 . . . . 0.0 111.88 173.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.5 -43.23 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.396 -0.815 . . . . 0.0 111.285 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -74.81 -1.52 22.54 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -119.37 -37.52 3.16 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.453 -1.405 . . . . 0.0 113.563 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -97.61 -27.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.262 1.025 . . . . 0.0 112.619 -172.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 . . . . . 0 CA--C 1.545 0.76 0 C-N-CA 124.781 1.232 . . . . 0.0 113.298 -170.536 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.683 0 CA-C-O 121.095 0.474 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.3 146.23 54.33 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.217 1.407 . . . . 0.0 112.086 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.74 -9.91 56.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.536 1.134 . . . . 0.0 112.792 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -119.92 -24.31 6.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.857 1.263 . . . . 0.0 113.963 -169.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -147.81 -178.25 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.382 1.473 . . . . 0.0 112.417 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 m -84.24 25.82 0.82 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -81.15 140.81 34.78 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 112.146 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -151.81 151.2 31.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.593 1.557 . . . . 0.0 110.193 170.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 t -147.5 150.64 34.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.971 0.908 . . . . 0.0 112.599 -173.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.68 -29.93 67.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 112.034 171.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -82.81 123.28 29.2 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.937 0.895 . . . . 0.0 111.703 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.8 -16.27 60.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.058 1.343 . . . . 0.0 112.587 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.06 -39.52 8.5 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.947 1.261 . . . . 0.0 112.779 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -62.53 -33.77 75.56 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.194 0.997 . . . . 0.0 111.935 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.63 -39.84 95.1 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.342 0.657 . . . . 0.0 112.451 173.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -67.78 -45.52 74.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.142 0.577 . . . . 0.0 110.751 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.77 -40.91 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.838 0.855 . . . . 0.0 111.547 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.23 -53.3 59.9 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.276 1.031 . . . . 0.0 111.742 174.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.34 -35.9 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.328 -0.858 . . . . 0.0 111.478 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.43 -10.63 59.78 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -122.82 -23.12 5.12 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -100.98 -33.16 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.189 0.996 . . . . 0.0 112.661 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 . . . . . 0 N--CA 1.471 0.588 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 -169.678 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.84 145.08 51.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.999 1.32 . . . . 0.0 112.324 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -85.58 -10.27 56.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.408 1.083 . . . . 0.0 112.892 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -119.62 -20.27 7.77 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.864 1.265 . . . . 0.0 113.98 -171.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -148.68 177.84 9.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.301 1.44 . . . . 0.0 112.276 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -82.41 28.76 0.45 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.916 1.286 . . . . 0.0 114.418 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -84.65 134.48 34.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.144 1.378 . . . . 0.0 112.557 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -127.87 146.84 50.49 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.452 1.901 . . . . 0.0 108.851 174.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.6 166.9 21.85 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -169.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 tp -80.22 -22.65 41.6 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.303 1.441 . . . . 0.0 113.107 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -141.36 143.67 34.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.064 1.346 . . . . 0.0 111.855 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.63 -29.6 70.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.245 1.018 . . . . 0.0 111.866 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.37 -42.76 89.48 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 123.666 0.651 . . . . 0.0 112.466 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.6 -36.01 80.06 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.651 -0.911 . . . . 0.0 111.805 174.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.43 -38.79 92.25 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.56 -0.713 . . . . 0.0 112.321 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.42 -42.2 98.36 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.268 -0.895 . . . . 0.0 111.437 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.14 -38.0 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.776 0.83 . . . . 0.0 112.017 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.66 -52.85 63.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.145 0.884 . . . . 0.0 111.248 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -37.43 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.37 -0.831 . . . . 0.0 111.459 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.8 -24.87 64.45 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.884 1.274 . . . . 0.0 114.063 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -118.39 -30.71 5.15 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.56 -18.81 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.308 1.043 . . . . 0.0 112.666 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 125.266 1.426 . . . . 0.0 111.13 -173.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.667 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -69.99 147.92 49.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.119 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.25 -9.82 43.79 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.876 1.27 . . . . 0.0 112.727 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -118.13 -23.06 7.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.042 1.337 . . . . 0.0 113.736 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -146.97 -178.59 6.28 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.799 1.64 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 p -84.7 22.51 1.32 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -77.01 138.6 39.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.346 1.458 . . . . 0.0 112.452 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -130.45 152.85 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.696 1.598 . . . . 0.0 111.006 172.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -142.43 161.54 37.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.106 0.962 . . . . 0.0 113.376 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.89 -4.65 54.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 114.317 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 t -149.82 138.24 20.65 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.014 1.326 . . . . 0.0 112.106 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -63.86 -38.09 89.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 112.079 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.34 93.23 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.946 0.784 . . . . 0.0 112.616 177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -72.65 -33.97 66.95 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.678 -0.895 . . . . 0.0 112.06 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.41 -40.08 92.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.324 -0.86 . . . . 0.0 111.924 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.29 -43.44 96.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.411 -0.806 . . . . 0.0 111.155 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.48 -44.08 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.074 0.852 . . . . 0.0 111.481 172.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -56.09 -52.18 65.23 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.795 1.179 . . . . 0.0 111.601 175.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.12 -45.52 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.508 -0.745 . . . . 0.0 111.334 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.48 -17.29 61.25 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -102.36 -36.1 8.58 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.029 1.332 . . . . 0.0 111.616 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -106.47 -30.75 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.749 1.22 . . . . 0.0 112.772 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 125.024 1.33 . . . . 0.0 112.208 -172.704 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.642 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.81 147.45 51.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 112.062 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.69 -9.65 55.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.826 1.25 . . . . 0.0 113.119 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -123.0 -18.95 6.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 p -148.28 176.83 9.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.227 1.411 . . . . 0.0 112.371 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -81.76 26.41 0.5 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -81.7 135.47 35.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.225 1.41 . . . . 0.0 111.825 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -119.77 145.24 46.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.989 1.315 . . . . 0.0 110.746 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -131.55 153.94 49.34 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -167.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 tp -81.53 -26.21 35.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.443 1.497 . . . . 0.0 113.291 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.1 p -145.44 157.44 44.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.161 0.984 . . . . 0.0 113.143 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.09 -35.23 79.95 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.727 0.811 . . . . 0.0 112.048 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.08 -43.46 95.67 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.65 0.643 . . . . 0.0 112.984 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.08 -32.38 71.78 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 122.025 -0.691 . . . . 0.0 111.63 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -71.08 -38.72 72.43 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.969 -1.082 . . . . 0.0 112.726 173.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.31 -44.16 97.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 112.026 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.34 -30.23 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.04 0.836 . . . . 0.0 112.704 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.84 -53.09 61.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.159 0.89 . . . . 0.0 110.533 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.45 -41.86 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.526 -0.734 . . . . 0.0 111.57 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.17 -25.59 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.95 -27.31 8.85 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.174 0.897 . . . . 0.0 113.167 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -90.25 -62.06 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.71 0.804 . . . . 0.0 110.945 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.072 1.349 . . . . 0.0 114.191 -168.494 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.533 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.86 149.03 49.39 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.201 1.4 . . . . 0.0 112.454 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.33 -10.49 43.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.968 1.307 . . . . 0.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -118.77 -23.19 7.09 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.326 . . . . 0.0 113.81 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -147.39 -177.31 5.62 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.641 1.576 . . . . 0.0 112.344 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -85.91 22.11 1.77 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.8 137.94 42.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.2 1.4 . . . . 0.0 112.123 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.1 p -136.36 151.98 50.15 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.538 1.535 . . . . 0.0 111.343 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.4 p -151.36 169.1 22.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.3 tp -90.82 -7.53 52.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.556 1.542 . . . . 0.0 113.906 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -145.62 142.53 29.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.349 1.06 . . . . 0.0 112.962 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -61.38 -27.02 68.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.357 1.063 . . . . 0.0 112.55 171.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.36 97.4 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.485 0.584 . . . . 0.0 112.328 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -68.35 -36.43 79.21 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.831 -0.805 . . . . 0.0 111.71 175.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.82 -44.57 96.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.766 0.826 . . . . 0.0 112.099 172.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -62.0 -48.4 80.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.26 -38.47 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.356 1.062 . . . . 0.0 112.341 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.22 -56.53 20.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.759 0.824 . . . . 0.0 111.192 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 123.803 0.841 . . . . 0.0 111.438 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.49 -27.28 69.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.723 1.209 . . . . 0.0 113.746 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -110.29 -27.59 9.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -169.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.56 -17.54 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -173.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 179.283 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.806 0 CA-C-O 120.012 -0.042 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.16 141.71 53.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.775 0.797 . . . . 0.0 111.626 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.1 -10.33 55.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.347 1.059 . . . . 0.0 113.017 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -124.2 -16.7 6.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.02 -178.61 6.29 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.306 1.442 . . . . 0.0 111.919 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 p -85.88 23.04 1.53 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -80.81 141.32 34.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.837 1.255 . . . . 0.0 113.219 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -140.8 148.14 40.14 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.573 1.949 . . . . 0.0 110.839 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.21 152.39 43.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.367 1.067 . . . . 0.0 110.92 173.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.85 -41.33 78.6 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.941 0.896 . . . . 0.0 110.822 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.8 t -77.06 112.5 13.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.513 0.725 . . . . 0.0 110.464 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -74.91 -19.45 60.13 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.87 -0.519 . . . . 0.0 112.291 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.96 80.53 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.022 0.82 . . . . 0.0 111.732 168.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -66.58 -36.6 83.02 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.518 -0.989 . . . . 0.0 112.004 172.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.49 -40.28 92.91 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.474 -0.766 . . . . 0.0 112.608 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.53 -43.57 93.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.791 0.837 . . . . 0.0 111.408 172.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.14 -43.99 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.006 -0.997 . . . . 0.0 111.413 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -54.55 -50.05 68.85 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.422 1.464 . . . . 0.0 111.732 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.8 -41.8 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.684 -0.635 . . . . 0.0 110.968 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -80.16 -10.71 59.77 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -114.81 -35.13 4.91 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.124 1.37 . . . . 0.0 113.145 -174.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.76 -31.56 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.592 1.157 . . . . 0.0 112.044 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 124.744 1.218 . . . . 0.0 113.584 -172.781 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -59.94 142.2 54.15 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.979 0.895 . . . . 0.0 112.112 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -89.18 -10.95 45.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.007 1.323 . . . . 0.0 112.73 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -116.3 -22.28 8.91 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.048 1.339 . . . . 0.0 113.652 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -147.43 175.75 10.56 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.594 1.557 . . . . 0.0 112.268 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -82.54 36.41 0.48 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.125 1.37 . . . . 0.0 114.102 -173.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -102.85 141.74 35.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 114.645 -169.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -144.99 153.53 41.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.687 2.395 . . . . 0.0 110.842 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -140.06 177.89 7.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.282 1.433 . . . . 0.0 110.791 169.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -84.16 -24.14 30.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 m -88.28 149.97 23.51 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.082 0.953 . . . . 0.0 113.059 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.21 -35.04 77.66 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.11 -3.33 73.12 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.388 1.47 . . . . 0.0 115.983 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -58.23 -37.34 74.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.434 1.617 . . . . 0.0 113.867 -168.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.2 -39.1 89.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.853 0.861 . . . . 0.0 112.317 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.15 -47.79 82.96 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.455 0.702 . . . . 0.0 110.859 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.54 -41.57 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.069 0.548 . . . . 0.0 111.032 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.39 -47.1 86.74 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.894 0.77 . . . . 0.0 112.355 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.28 -41.96 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.285 -0.884 . . . . 0.0 110.808 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -76.73 -1.0 25.78 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -130.61 -38.52 1.32 Allowed 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.728 -1.233 . . . . 0.0 114.24 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.4 t -96.61 -38.68 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.517 1.127 . . . . 0.0 111.771 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -176.737 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.786 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -67.33 146.57 53.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.524 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.83 -11.81 56.48 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.942 1.297 . . . . 0.0 112.884 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -120.2 -21.66 6.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.616 1.167 . . . . 0.0 113.895 -169.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -149.53 -176.32 5.35 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.642 1.577 . . . . 0.0 112.309 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 p -86.36 21.84 1.98 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -76.24 145.49 39.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.014 1.325 . . . . 0.0 112.475 174.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 m -136.39 143.15 43.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.525 1.53 . . . . 0.0 109.403 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.04 159.66 14.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.06 0.944 . . . . 0.0 113.314 -173.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -81.15 -16.51 52.75 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 169.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -165.06 144.38 6.77 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 128.188 2.595 . . . . 0.0 108.45 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -54.46 -26.06 28.82 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.77 -35.05 80.23 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.469 -0.77 . . . . 0.0 113.668 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.04 -25.71 47.98 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.33 1.065 . . . . 0.0 112.125 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.39 -38.36 87.36 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 120.834 -1.166 . . . . 0.0 111.72 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.95 -43.3 98.89 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.658 -0.651 . . . . 0.0 111.499 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.88 -41.75 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.929 0.891 . . . . 0.0 111.671 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -58.62 -49.72 76.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.629 0.772 . . . . 0.0 111.549 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.32 -41.75 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.612 -0.68 . . . . 0.0 111.132 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.58 1.18 20.37 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -125.74 -44.36 1.81 Allowed 'General case' 0 N--CA 1.481 1.098 0 O-C-N 120.432 -1.418 . . . . 0.0 113.718 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -83.78 -30.22 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.096 0.958 . . . . 0.0 111.756 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 . . . . . 0 CA--C 1.544 0.73 0 C-N-CA 125.688 1.595 . . . . 0.0 111.805 -179.288 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -67.94 150.36 48.61 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.638 1.575 . . . . 0.0 112.727 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -94.99 -9.05 35.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.29 1.436 . . . . 0.0 112.74 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.14 -20.06 9.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.305 1.442 . . . . 0.0 113.644 -171.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.3 -178.57 6.59 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.864 1.666 . . . . 0.0 112.055 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -84.97 28.04 0.72 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -81.6 135.64 35.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.377 1.471 . . . . 0.0 112.708 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.1 m -111.59 147.16 36.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.778 1.631 . . . . 0.0 109.736 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 t -131.82 160.36 35.84 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.246 1.418 . . . . 0.0 113.019 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -83.4 -25.13 31.58 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.892 1.277 . . . . 0.0 113.217 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -154.52 148.8 26.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.996 1.319 . . . . 0.0 111.687 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -56.41 -34.85 67.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.204 1.002 . . . . 0.0 112.109 169.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.28 73.65 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.252 0.929 . . . . 0.0 114.236 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.95 -35.06 14.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.514 1.126 . . . . 0.0 111.389 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.68 -35.08 76.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.181 0.992 . . . . 0.0 112.007 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -54.31 -41.29 68.81 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.755 1.222 . . . . 0.0 112.208 170.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.75 -39.6 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.716 0.806 . . . . 0.0 111.093 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.82 -44.33 97.06 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.229 -0.919 . . . . 0.0 111.982 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.99 -27.19 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 120.933 -1.105 . . . . 0.0 112.325 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -102.23 -23.85 13.97 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -118.61 -44.56 2.64 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.222 1.409 . . . . 0.0 112.578 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.6 t -71.92 -52.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 167.189 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.897 -0.481 . . . . 0.0 111.897 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.5 m -68.4 152.87 44.79 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.587 1.155 . . . . 0.0 113.231 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.8 p -75.47 -12.39 60.23 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.918 1.287 . . . . 0.0 114.381 178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.03 162.56 30.97 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 125.97 1.748 . . . . 0.0 112.269 174.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -156.68 159.85 38.79 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.873 1.269 . . . . 0.0 112.52 -175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.7 m -79.7 -44.44 20.81 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.436 0.694 . . . . 0.0 111.839 170.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.66 -127.95 31.73 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 124.409 1.004 . . . . 0.0 113.007 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -112.05 22.49 14.77 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.347 1.459 . . . . 0.0 111.745 169.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -84.31 155.92 22.16 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.654 1.582 . . . . 0.0 111.752 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -83.85 156.64 22.35 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.97 1.308 . . . . 0.0 111.075 173.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.85 148.31 52.61 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.453 1.101 . . . . 0.0 112.871 -175.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.8 t -67.77 146.11 54.06 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.922 1.289 . . . . 0.0 111.977 174.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -86.76 -10.04 54.51 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.716 1.206 . . . . 0.0 112.728 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.39 -24.39 5.89 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.979 1.311 . . . . 0.0 113.994 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.0 p -146.51 -178.69 6.29 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.354 1.462 . . . . 0.0 112.586 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -85.62 26.92 0.89 Allowed 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -174.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 94.5 t80 -84.75 142.78 29.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.281 1.432 . . . . 0.0 112.586 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.1 p -137.99 149.72 46.35 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.168 1.387 . . . . 0.0 112.124 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 25.6 p -153.91 152.87 31.12 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.579 1.152 . . . . 0.0 112.745 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.1 tp -78.6 -16.42 57.4 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.707 1.002 . . . . 0.0 113.707 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -110.37 135.44 51.08 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.223 1.409 . . . . 0.0 112.348 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -67.4 -31.83 72.32 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.113 0.965 . . . . 0.0 111.58 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.12 97.95 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.742 0.686 . . . . 0.0 112.07 171.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -66.6 -36.33 82.35 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 118.055 0.927 . . . . 0.0 111.893 174.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 tp -65.09 -44.11 89.93 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.866 0.757 . . . . 0.0 111.779 173.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -59.75 -45.8 91.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.397 0.679 . . . . 0.0 111.633 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 57.6 t -64.02 -39.21 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.962 0.905 . . . . 0.0 112.001 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -60.63 -52.58 64.53 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.882 0.765 . . . . 0.0 111.285 174.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.48 -46.57 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 O-C-N 121.316 -0.865 . . . . 0.0 110.861 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -66.63 -15.31 63.37 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.312 1.445 . . . . 0.0 114.664 -175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.2 mtp180 -118.76 -26.48 6.08 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 114.198 1.185 . . . . 0.0 114.198 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.0 t -104.09 -40.25 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.046 0.939 . . . . 0.0 112.492 -173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -110.15 -24.59 10.64 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.15 0.98 . . . . 0.0 113.152 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -122.49 174.29 7.14 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.758 2.823 . . . . 0.0 108.306 168.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -137.38 156.42 48.23 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.84 1.256 . . . . 0.0 111.944 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.4 mp -76.28 134.54 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 124.361 1.065 . . . . 0.0 109.666 176.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 C--O 1.253 1.281 0 C-N-CA 125.924 1.69 . . . . 0.0 111.33 178.149 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.565 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.0 p -147.14 163.56 35.92 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.467 1.507 . . . . 0.0 112.278 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -148.31 156.86 43.05 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.941 1.296 . . . . 0.0 112.389 177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.23 -16.79 6.93 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.298 1.428 . . . . 0.0 115.957 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 m -60.4 129.86 43.74 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.819 1.309 . . . . 0.0 111.925 178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m 53.8 28.0 7.76 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.475 1.51 . . . . 0.0 114.782 -177.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.2 154.02 51.72 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.573 1.082 . . . . 0.0 114.248 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.44 2.02 38.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.859 1.664 . . . . 0.0 114.398 -175.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -67.82 156.13 37.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.035 1.334 . . . . 0.0 113.29 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -102.61 156.03 17.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.171 2.189 . . . . 0.0 110.582 173.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.32 147.25 49.1 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.397 1.079 . . . . 0.0 112.887 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.2 t -68.65 147.49 51.8 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.957 1.303 . . . . 0.0 112.43 177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -89.76 -10.17 46.56 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.002 1.321 . . . . 0.0 112.72 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -119.19 -24.58 6.4 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.052 1.341 . . . . 0.0 113.892 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -146.48 -177.75 5.79 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.482 1.513 . . . . 0.0 112.468 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.5 m -86.17 25.78 1.12 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -83.24 145.02 29.37 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.496 1.519 . . . . 0.0 112.661 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.7 p -139.53 152.61 47.05 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.911 1.284 . . . . 0.0 112.058 173.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.8 p -151.08 164.63 36.01 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.913 1.285 . . . . 0.0 112.756 -177.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -81.02 -11.93 59.45 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 -172.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 m -144.42 148.41 34.6 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.67 1.188 . . . . 0.0 112.701 -174.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -66.78 -31.07 71.47 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.142 0.977 . . . . 0.0 113.001 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.41 -36.28 93.17 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.726 -0.609 . . . . 0.0 112.819 171.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -69.72 -37.69 76.63 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 121.745 -0.856 . . . . 0.0 111.314 175.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.9 tp -62.38 -42.97 99.83 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.572 0.749 . . . . 0.0 111.71 171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -60.78 -44.49 96.71 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.015 0.926 . . . . 0.0 111.308 176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.5 t -64.77 -40.24 88.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 124.037 0.935 . . . . 0.0 112.046 174.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -59.18 -50.45 73.97 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.219 0.918 . . . . 0.0 111.336 174.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.51 -44.21 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 121.393 -0.817 . . . . 0.0 110.885 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -61.65 -26.22 67.87 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.792 1.237 . . . . 0.0 114.286 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -111.95 -28.33 8.07 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.317 0.962 . . . . 0.0 113.298 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.5 t -106.2 -29.58 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.478 1.111 . . . . 0.0 112.55 -173.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 m-70 -124.92 61.73 1.17 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.765 1.226 . . . . 0.0 111.722 -172.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -55.8 136.93 50.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.015 1.326 . . . . 0.0 111.64 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -77.3 151.94 34.77 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.434 1.093 . . . . 0.0 112.276 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 pt -111.31 2.56 8.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 125.48 1.512 . . . . 0.0 114.108 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.253 1.271 0 C-N-CA 125.785 1.634 . . . . 0.0 112.166 179.55 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.2 p -80.36 -13.41 59.19 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -146.3 162.88 37.17 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.892 1.677 . . . . 0.0 111.93 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.14 -38.46 1.14 Allowed Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.879 1.704 . . . . 0.0 115.667 176.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -135.21 24.47 3.53 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.249 1.82 . . . . 0.0 112.164 177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 p -78.09 -13.07 60.01 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.546 1.538 . . . . 0.0 114.559 -176.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.66 167.02 39.49 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.268 1.413 . . . . 0.0 112.957 177.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -149.09 144.54 26.73 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.963 1.305 . . . . 0.0 111.516 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -133.53 161.41 34.67 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 126.036 1.734 . . . . 0.0 111.335 175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -126.08 155.12 42.08 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.321 1.848 . . . . 0.0 111.037 -170.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.19 146.55 40.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.426 1.09 . . . . 0.0 113.086 -173.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.8 t -68.0 149.0 50.27 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.198 1.399 . . . . 0.0 112.342 176.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -90.49 -10.66 42.83 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.004 1.322 . . . . 0.0 112.776 175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -118.86 -23.15 7.06 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.968 1.307 . . . . 0.0 113.899 -170.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -147.88 -177.37 5.69 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.516 1.526 . . . . 0.0 112.497 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.35 26.08 1.11 Allowed 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 114.748 1.388 . . . . 0.0 114.748 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -80.9 140.54 35.27 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.283 1.433 . . . . 0.0 112.342 178.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.3 p -137.27 151.78 49.06 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.443 1.497 . . . . 0.0 111.848 174.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.25 164.17 37.94 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.49 1.116 . . . . 0.0 113.538 -174.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.602 HD13 ' H ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -84.95 -2.53 58.0 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -175.619 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.6 t -147.71 147.48 29.98 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.656 1.183 . . . . 0.0 112.43 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -64.62 -26.99 68.64 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.305 1.042 . . . . 0.0 112.195 170.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.0 -37.66 92.23 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 123.7 0.667 . . . . 0.0 112.699 171.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -68.58 -38.88 81.06 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.823 -0.81 . . . . 0.0 110.979 173.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.25 -44.9 95.48 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.685 0.794 . . . . 0.0 111.786 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -58.59 -50.14 74.89 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.159 0.984 . . . . 0.0 111.329 176.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.21 -41.01 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-O 118.803 -0.618 . . . . 0.0 111.413 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -57.97 -49.72 75.82 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.577 1.081 . . . . 0.0 111.785 175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.6 mt -62.02 -45.75 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 O-C-N 121.561 -0.712 . . . . 0.0 110.94 177.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -73.3 -11.62 60.56 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -177.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -115.66 -41.65 3.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.526 1.131 . . . . 0.0 112.363 -174.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.2 t -92.6 -40.47 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.433 1.093 . . . . 0.0 111.861 -173.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -101.54 81.11 2.14 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.318 1.047 . . . . 0.0 110.313 -176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -74.3 48.74 0.34 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.141 2.176 . . . . 0.0 114.334 -169.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -81.52 -11.44 59.18 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.385 1.874 . . . . 0.0 113.727 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.8 tt -64.83 150.78 10.24 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 125.661 1.585 . . . . 0.0 112.457 177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.2 pttp . . . . . 0 C--O 1.253 1.238 0 C-N-CA 126.222 1.809 . . . . 0.0 113.257 -179.15 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -81.05 -178.29 6.83 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.074 1.349 . . . . 0.0 112.559 177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p -61.23 -14.16 23.79 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 169.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 1.99 83.07 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 125.524 1.535 . . . . 0.0 115.323 171.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.1 m -62.63 152.72 34.37 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.04 1.42 . . . . 0.0 113.328 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.255 87.7 p 47.58 -90.19 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 127.938 2.495 . . . . 0.0 116.387 173.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.95 -169.74 55.03 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 125.02 1.295 . . . . 0.0 113.015 -169.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -147.18 148.05 31.13 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.092 0.957 . . . . 0.0 112.637 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -145.1 140.71 28.22 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.883 1.673 . . . . 0.0 109.853 169.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -80.43 130.34 35.1 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.292 0.637 . . . . 0.0 110.896 -169.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.46 146.18 39.73 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.503 1.121 . . . . 0.0 113.075 -172.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.4 t -70.97 148.99 47.12 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.116 1.366 . . . . 0.0 111.857 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -93.76 -8.66 40.03 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.949 1.3 . . . . 0.0 112.696 176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -118.73 -20.7 8.17 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.055 1.342 . . . . 0.0 113.727 -169.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.18 -177.55 5.89 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 126.047 1.739 . . . . 0.0 112.052 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.1 m -86.48 27.37 0.96 Allowed 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -78.93 135.87 37.09 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.895 1.278 . . . . 0.0 112.0 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 68.8 p -136.26 153.01 51.32 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.26 1.424 . . . . 0.0 111.316 171.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -149.83 164.0 36.5 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.323 1.049 . . . . 0.0 112.992 -175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.9 tp -94.99 -0.48 53.79 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.198 1.799 . . . . 0.0 113.128 177.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.4 t -129.8 138.33 50.98 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.317 1.447 . . . . 0.0 112.781 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.9 -43.57 95.58 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.007 1.323 . . . . 0.0 111.661 172.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.85 -39.6 97.55 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 123.766 0.698 . . . . 0.0 112.507 -178.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -66.5 -36.94 83.95 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.996 -0.708 . . . . 0.0 112.147 175.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.89 -41.88 86.44 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.814 0.734 . . . . 0.0 112.192 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -61.2 -44.88 96.59 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.557 -0.714 . . . . 0.0 111.286 174.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.27 -39.4 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 124.266 1.026 . . . . 0.0 111.976 174.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.67 -53.35 58.46 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 118.821 0.737 . . . . 0.0 111.52 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.3 mt -63.44 -39.86 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 O-C-N 121.147 -0.971 . . . . 0.0 111.42 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.53 -26.77 68.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.404 1.482 . . . . 0.0 114.145 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -126.29 -27.84 3.16 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.2 t -88.85 -35.37 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.187 0.995 . . . . 0.0 111.484 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -111.29 20.86 16.9 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.923 1.289 . . . . 0.0 113.682 -176.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -59.95 -13.63 12.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.275 1.83 . . . . 0.0 115.873 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -77.03 -11.5 59.81 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.702 1.601 . . . . 0.0 115.245 -178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.0 pt -69.02 156.51 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.907 0.883 . . . . 0.0 113.056 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt . . . . . 0 C--O 1.254 1.311 0 C-N-CA 127.354 2.262 . . . . 0.0 113.428 -178.75 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.539 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -66.03 145.21 56.13 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.404 1.082 . . . . 0.0 112.621 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -60.8 131.46 50.77 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.472 0.709 . . . . 0.0 111.683 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.87 16.71 40.36 Favored Glycine 0 CA--C 1.541 1.67 0 C-N-CA 124.387 0.994 . . . . 0.0 115.018 -176.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m 54.53 33.94 20.07 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.504 1.522 . . . . 0.0 113.458 -169.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.8 m -63.13 147.73 49.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.613 1.165 . . . . 0.0 113.466 -175.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.71 43.94 0.26 Allowed Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.829 1.204 . . . . 0.0 112.849 -177.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -79.65 63.97 4.38 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.011 1.325 . . . . 0.0 112.946 -169.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -80.35 -8.85 59.68 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 -172.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -101.92 143.5 31.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.006 1.323 . . . . 0.0 111.021 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.32 144.84 38.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.289 1.036 . . . . 0.0 113.239 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -70.43 147.32 49.61 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.295 1.438 . . . . 0.0 112.349 176.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.09 -12.79 40.17 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.008 1.323 . . . . 0.0 112.631 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -114.23 -22.69 9.83 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.961 1.304 . . . . 0.0 113.73 -170.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -150.17 -178.05 6.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.589 1.556 . . . . 0.0 112.443 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -85.19 25.8 0.95 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -176.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -79.23 139.7 37.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.157 1.383 . . . . 0.0 112.079 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.3 p -135.09 153.74 51.92 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.433 1.493 . . . . 0.0 111.523 173.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -152.95 163.93 38.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.18 0.992 . . . . 0.0 112.415 -177.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -91.3 5.08 50.61 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.831 1.653 . . . . 0.0 114.558 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.2 t -142.34 134.57 27.62 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.908 1.283 . . . . 0.0 112.189 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -67.46 -26.92 66.62 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.274 1.03 . . . . 0.0 113.158 170.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.16 -43.98 68.81 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 123.79 0.709 . . . . 0.0 111.917 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -68.34 -33.29 74.03 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.812 -0.817 . . . . 0.0 111.706 174.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.1 tp -64.39 -38.46 91.12 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.316 -0.865 . . . . 0.0 112.268 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -62.15 -46.12 90.39 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.27 -0.894 . . . . 0.0 110.925 170.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.4 t -57.7 -37.48 59.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 119.459 1.027 . . . . 0.0 112.036 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.9 t60 -60.65 -51.69 68.32 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.14 0.882 . . . . 0.0 111.887 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.32 -43.0 98.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.054 -1.029 . . . . 0.0 111.763 -179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.21 -15.87 63.53 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.478 1.511 . . . . 0.0 114.33 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -118.37 -35.02 3.88 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.325 1.05 . . . . 0.0 113.573 -176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.5 t -94.13 -40.67 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.172 0.989 . . . . 0.0 112.178 -175.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -104.49 -35.13 8.0 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -172.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -80.97 44.69 0.77 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 124.872 1.269 . . . . 0.0 112.008 169.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -88.58 -44.85 10.35 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.278 1.831 . . . . 0.0 112.674 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 20.2 tt -81.01 -34.52 13.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.302 1.041 . . . . 0.0 113.144 -175.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp . . . . . 0 C--O 1.252 1.217 0 C-N-CA 126.829 2.052 . . . . 0.0 110.954 179.706 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.2 t -148.22 154.29 39.89 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.039 1.336 . . . . 0.0 111.616 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.5 m 56.11 21.48 5.18 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 126.297 1.839 . . . . 0.0 115.645 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.88 156.42 10.53 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 125.282 1.42 . . . . 0.0 113.129 179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.9 p -84.41 -37.27 21.68 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.629 1.171 . . . . 0.0 113.327 -179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.1 p -144.16 -3.54 0.85 Allowed 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.782 1.633 . . . . 0.0 114.199 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.42 -175.7 44.87 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 125.986 1.755 . . . . 0.0 111.967 -176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.65 150.35 46.09 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -137.71 153.3 49.79 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 126.001 1.72 . . . . 0.0 110.753 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -83.05 95.53 8.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.245 0.618 . . . . 0.0 110.915 -177.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.21 146.01 39.97 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.745 1.218 . . . . 0.0 111.939 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.2 t -70.25 146.7 50.46 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.807 1.243 . . . . 0.0 111.739 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -93.34 -7.91 43.45 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.811 1.245 . . . . 0.0 112.646 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.75 -20.78 8.12 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.128 1.371 . . . . 0.0 113.473 -169.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.2 p -147.52 -178.99 6.54 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.234 1.813 . . . . 0.0 111.602 173.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -84.59 23.84 1.09 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 -176.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -77.9 138.99 39.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.16 1.384 . . . . 0.0 112.891 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.0 p -125.82 143.57 51.01 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.061 1.744 . . . . 0.0 110.336 171.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.0 t -122.88 165.02 17.35 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -168.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.9 mp -92.31 -13.42 30.34 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.43 1.492 . . . . 0.0 112.845 172.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.9 t -153.04 144.39 23.24 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.927 1.291 . . . . 0.0 112.279 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -62.01 -31.15 71.5 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.228 1.011 . . . . 0.0 112.431 171.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.1 -46.59 79.35 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 123.642 0.639 . . . . 0.0 112.499 176.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -72.48 -29.37 63.58 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.619 -0.93 . . . . 0.0 112.291 175.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.98 -40.09 94.46 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.159 -0.963 . . . . 0.0 111.943 170.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.05 -43.91 95.04 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.505 -0.747 . . . . 0.0 110.887 172.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.3 t -61.54 -41.87 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 118.778 0.717 . . . . 0.0 111.866 175.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -58.43 -45.63 88.12 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.018 0.827 . . . . 0.0 112.134 174.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 91.0 mt -69.45 -47.49 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 121.349 -0.844 . . . . 0.0 111.165 179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -75.16 -17.48 60.38 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.43 1.492 . . . . 0.0 114.196 -170.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 66.1 mtp85 -116.8 6.39 13.18 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.891 1.276 . . . . 0.0 113.174 -178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.5 t -133.16 -69.64 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.657 1.183 . . . . 0.0 110.419 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -75.81 -25.16 56.1 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -169.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -95.66 -9.46 31.97 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.74 1.216 . . . . 0.0 113.546 169.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -82.54 -40.66 20.67 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.004 1.322 . . . . 0.0 111.934 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 tp -71.16 134.91 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 123.455 0.702 . . . . 0.0 110.797 170.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.253 1.251 0 C-N-CA 125.93 1.692 . . . . 0.0 111.551 -175.729 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 112.146 -0.381 . . . . 0.0 112.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m -133.77 152.51 51.89 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.328 1.451 . . . . 0.0 112.035 -177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -150.52 166.76 29.21 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.151 1.38 . . . . 0.0 111.696 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.51 -33.06 1.6 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 125.937 1.732 . . . . 0.0 115.439 176.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.0 p -61.31 -27.54 68.56 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.308 1.443 . . . . 0.0 114.349 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -118.39 11.9 13.17 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.96 1.704 . . . . 0.0 112.899 171.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.25 -9.53 76.19 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.116 1.341 . . . . 0.0 115.003 -175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -133.95 156.08 48.78 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.714 1.605 . . . . 0.0 111.6 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -72.91 156.18 39.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.346 1.058 . . . . 0.0 112.976 177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -90.66 156.59 17.99 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.664 1.586 . . . . 0.0 110.873 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -137.76 141.02 40.94 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.051 0.941 . . . . 0.0 112.591 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -66.63 146.58 54.33 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.172 1.389 . . . . 0.0 112.184 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -86.41 -11.56 51.59 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.734 1.213 . . . . 0.0 112.787 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -117.67 -22.89 7.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.894 1.278 . . . . 0.0 113.985 -170.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.27 -179.12 6.61 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.558 1.543 . . . . 0.0 112.306 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 71.5 p -85.49 21.38 1.8 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.201 1.556 . . . . 0.0 115.201 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.9 t80 -76.2 140.69 41.78 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.256 1.422 . . . . 0.0 112.259 176.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 49.0 p -127.07 150.44 49.46 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.378 1.471 . . . . 0.0 111.272 173.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.64 160.12 41.25 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.168 1.173 . . . . 0.0 114.168 -168.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.52 -21.73 32.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.606 1.163 . . . . 0.0 113.565 -173.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.6 p -148.41 160.18 43.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.417 1.087 . . . . 0.0 112.463 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -63.86 -34.28 77.59 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.65 0.78 . . . . 0.0 112.257 174.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.3 -41.02 87.01 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 123.848 0.737 . . . . 0.0 113.042 175.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -72.69 -27.62 62.19 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.926 -0.749 . . . . 0.0 111.743 175.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 tp -73.13 -37.35 66.67 Favored 'General case' 0 CA--C 1.542 0.66 0 O-C-N 120.881 -1.137 . . . . 0.0 112.324 169.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -58.62 -45.58 88.92 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.403 -0.811 . . . . 0.0 111.478 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.9 p -66.24 -28.59 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 CA-C-N 119.49 1.041 . . . . 0.0 113.082 178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -63.91 -51.1 66.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.061 0.846 . . . . 0.0 110.547 168.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.28 -43.76 97.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 O-C-N 121.431 -0.793 . . . . 0.0 111.242 178.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -67.05 -14.82 63.28 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.52 1.528 . . . . 0.0 114.098 -177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.83 -33.56 5.43 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.777 1.231 . . . . 0.0 113.254 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -101.43 -30.12 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.359 1.063 . . . . 0.0 112.599 -173.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -124.38 0.07 8.26 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 -171.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -63.9 -28.23 69.69 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.7 1.2 . . . . 0.0 113.152 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.6 mtpp -124.45 159.89 29.48 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.829 2.051 . . . . 0.0 110.899 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.8 tp -141.42 154.47 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 125.516 1.527 . . . . 0.0 111.261 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.433 1.493 . . . . 0.0 112.784 -179.221 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.6 p -147.43 177.53 9.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.041 1.337 . . . . 0.0 112.194 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -71.54 -0.82 11.47 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.683 1.193 . . . . 0.0 114.043 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.49 166.78 42.82 Favored Glycine 0 CA--C 1.534 1.273 0 C-N-CA 125.125 1.345 . . . . 0.0 113.459 -174.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m -71.22 -1.45 12.67 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 -170.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 p -72.84 -25.07 60.99 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.31 1.044 . . . . 0.0 112.008 168.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.02 160.38 24.03 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 125.62 1.581 . . . . 0.0 112.585 169.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -81.4 126.89 32.17 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.699 -0.883 . . . . 0.0 111.789 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -154.74 159.12 40.47 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.224 1.81 . . . . 0.0 111.87 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -100.07 150.87 22.02 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.798 1.639 . . . . 0.0 110.473 175.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.16 146.34 40.47 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.257 1.023 . . . . 0.0 113.326 -173.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 45.6 t -71.47 147.48 47.77 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.05 1.34 . . . . 0.0 111.987 174.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -90.67 -10.66 42.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.942 1.297 . . . . 0.0 112.643 176.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -117.17 -21.2 8.92 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.923 1.289 . . . . 0.0 113.818 -169.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -150.99 -178.0 6.34 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.749 1.619 . . . . 0.0 112.171 176.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.6 m -84.61 26.45 0.8 Allowed 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -77.7 138.8 39.26 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.796 1.238 . . . . 0.0 112.001 176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.3 p -138.35 153.42 48.97 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.037 1.335 . . . . 0.0 111.602 170.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 11.7 t -150.54 156.93 42.37 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.141 0.977 . . . . 0.0 112.361 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.523 HD13 ' H ' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -78.9 -2.46 40.01 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 169.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.7 t -128.86 132.43 47.75 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.456 1.502 . . . . 0.0 112.465 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.2 ptpt -71.1 -23.67 62.16 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.069 0.948 . . . . 0.0 112.95 170.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.79 -42.55 86.48 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.761 0.696 . . . . 0.0 112.124 175.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -65.77 -37.34 86.08 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.998 -0.707 . . . . 0.0 111.436 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.4 tp -64.59 -39.24 93.37 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 118.658 0.663 . . . . 0.0 112.27 173.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -61.65 -44.53 96.79 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.394 -0.816 . . . . 0.0 111.105 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.07 -38.6 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 123.891 0.876 . . . . 0.0 111.928 174.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -61.0 -49.73 76.24 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.023 0.929 . . . . 0.0 111.56 175.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.58 -38.74 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 O-C-N 120.983 -1.073 . . . . 0.0 110.963 176.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -73.33 -32.56 64.64 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -125.52 -31.52 2.98 Favored 'General case' 0 N--CA 1.48 1.065 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 -168.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.1 -36.92 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.176 0.591 . . . . 0.0 110.527 175.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -98.81 -1.62 39.91 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 169.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 mptt 62.88 166.91 0.12 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 128.251 2.62 . . . . 0.0 115.421 172.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.6 tttp -61.91 143.49 56.35 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.569 1.547 . . . . 0.0 112.274 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.6 tp -99.84 148.81 6.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 126.111 1.764 . . . . 0.0 109.22 167.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 C--O 1.253 1.252 0 C-N-CA 125.974 1.709 . . . . 0.0 114.145 -169.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -68.58 150.75 47.65 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.522 1.129 . . . . 0.0 113.124 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 p -78.97 165.89 22.96 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.978 1.311 . . . . 0.0 113.164 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.66 163.16 36.09 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.914 1.245 . . . . 0.0 112.928 177.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.0 m -70.33 139.51 52.03 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.187 0.995 . . . . 0.0 113.014 -174.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -77.37 -16.95 58.61 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 -170.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.86 23.35 0.61 Allowed Glycine 0 CA--C 1.535 1.284 0 N-CA-C 115.445 0.938 . . . . 0.0 115.445 -173.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -118.94 25.18 10.38 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.998 1.319 . . . . 0.0 112.791 -176.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -142.27 149.99 40.29 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.973 1.709 . . . . 0.0 110.787 177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -107.19 146.49 31.3 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.263 1.425 . . . . 0.0 110.655 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.27 144.05 38.2 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.239 1.015 . . . . 0.0 112.655 -174.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.0 t -65.71 146.68 54.49 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.168 1.387 . . . . 0.0 112.017 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -88.25 -8.8 54.67 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.625 1.17 . . . . 0.0 112.697 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -121.54 -22.78 5.79 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.944 1.297 . . . . 0.0 114.005 -169.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -147.56 -176.55 5.29 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.551 1.54 . . . . 0.0 112.474 177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 m -86.79 25.54 1.26 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -80.29 140.76 36.03 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.18 1.392 . . . . 0.0 112.288 177.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -136.02 151.49 49.93 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.2 1.4 . . . . 0.0 111.949 174.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.8 p -153.23 169.27 23.43 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.865 1.266 . . . . 0.0 112.903 -177.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.63 1.32 57.23 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 -174.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -148.26 142.88 26.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.957 0.903 . . . . 0.0 113.162 -175.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -60.18 -29.09 68.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 124.177 0.991 . . . . 0.0 112.734 169.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.8 -42.96 85.53 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 123.675 0.655 . . . . 0.0 112.126 173.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.54 -37.56 87.06 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.908 -0.76 . . . . 0.0 111.519 174.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 tp -62.28 -47.52 83.94 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.678 0.791 . . . . 0.0 111.9 173.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -62.72 -42.62 99.75 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.441 0.696 . . . . 0.0 112.218 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.3 t -64.63 -40.34 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.874 0.87 . . . . 0.0 111.568 175.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -61.23 -52.6 64.11 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.946 0.793 . . . . 0.0 111.5 173.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -58.55 -49.46 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.565 -0.71 . . . . 0.0 110.726 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.7 -20.09 65.23 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 114.382 1.252 . . . . 0.0 114.382 -174.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -104.99 -24.21 12.86 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.047 0.939 . . . . 0.0 113.073 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.0 t -110.8 -32.2 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 123.874 0.869 . . . . 0.0 113.214 -171.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -131.96 -25.07 2.08 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -170.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp 65.38 146.06 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 127.781 2.432 . . . . 0.0 111.769 -166.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 171.07 5.6 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.369 0.667 . . . . 0.0 111.993 169.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 18.4 tt -62.96 -26.62 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.251 1.183 0 C-N-CA 125.793 1.637 . . . . 0.0 113.224 -178.748 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -76.84 160.86 28.9 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.96 1.304 . . . . 0.0 113.271 177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 m -66.26 145.85 55.28 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.554 1.142 . . . . 0.0 112.816 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.9 139.17 30.88 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 123.964 0.793 . . . . 0.0 113.565 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.4 m -72.34 -15.0 61.88 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.548 1.314 . . . . 0.0 114.548 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -71.89 -17.73 62.09 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.498 1.295 . . . . 0.0 114.498 -176.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.59 -165.21 50.35 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.297 0.951 . . . . 0.0 113.974 -176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -84.64 143.47 29.22 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.454 1.102 . . . . 0.0 112.601 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -123.36 139.62 53.85 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.115 1.766 . . . . 0.0 109.356 169.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -139.71 156.94 46.52 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.396 1.078 . . . . 0.0 113.122 -169.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.87 160.04 40.67 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.991 1.716 . . . . 0.0 111.626 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -63.67 140.63 58.89 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-O 121.823 0.82 . . . . 0.0 111.469 177.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -84.99 -10.06 57.41 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.447 1.099 . . . . 0.0 112.741 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -118.96 -22.89 7.09 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.064 1.345 . . . . 0.0 113.641 -170.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -147.18 -178.16 6.07 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.792 1.637 . . . . 0.0 111.715 177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 p -86.26 23.85 1.48 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.33 1.604 . . . . 0.0 115.33 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -82.77 139.3 33.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.567 1.147 . . . . 0.0 113.435 -177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.5 p -142.26 157.82 44.41 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 127.23 2.212 . . . . 0.0 110.207 174.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.3 t -144.73 168.31 20.49 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.636 0.775 . . . . 0.0 112.419 178.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.7 tp -73.01 -22.22 60.7 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.345 1.458 . . . . 0.0 113.003 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.8 t -137.64 143.2 41.27 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.272 1.429 . . . . 0.0 111.373 173.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -67.75 -22.67 65.21 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.348 1.059 . . . . 0.0 113.203 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.83 -38.23 94.96 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 119.247 0.931 . . . . 0.0 113.628 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -70.03 -36.47 75.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.764 0.826 . . . . 0.0 111.994 175.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.4 tp -70.01 -34.96 73.99 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.129 0.972 . . . . 0.0 112.307 174.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -62.55 -53.9 47.83 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.293 1.037 . . . . 0.0 110.074 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.8 p -66.45 -28.41 43.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -58.1 -49.32 77.33 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 110.94 169.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.7 mt -63.03 -42.54 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.056 -1.028 . . . . 0.0 111.428 177.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -61.89 -24.44 66.94 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.56 1.318 . . . . 0.0 114.56 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -117.56 -28.79 5.96 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 -170.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -98.49 -33.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.192 0.997 . . . . 0.0 112.269 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -117.25 -27.74 6.36 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 115.27 1.582 . . . . 0.0 115.27 -169.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -71.25 153.95 42.03 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.564 1.074 . . . . 0.0 111.88 169.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -141.78 171.11 14.51 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 126.134 1.773 . . . . 0.0 112.465 -176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.96 156.28 5.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 C-N-CA 125.055 1.342 . . . . 0.0 113.295 179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--O 1.253 1.248 0 C-N-CA 126.343 1.857 . . . . 0.0 111.316 179.466 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.575 0 N-CA-C 111.947 -0.461 . . . . 0.0 111.947 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -150.05 172.42 15.28 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.139 1.375 . . . . 0.0 111.811 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m 58.88 29.55 18.99 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 126.134 1.773 . . . . 0.0 115.302 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.62 -135.47 22.01 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.28 0.943 . . . . 0.0 113.851 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -59.83 138.2 57.86 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.979 1.312 . . . . 0.0 112.455 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -156.76 149.01 23.15 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.454 1.102 . . . . 0.0 112.76 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.22 -126.82 43.53 Favored Glycine 0 CA--C 1.535 1.325 0 O-C-N 121.616 -0.677 . . . . 0.0 112.123 -177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -88.17 -0.18 56.78 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 174.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -106.09 129.45 54.18 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.526 1.131 . . . . 0.0 111.773 -174.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -118.51 145.35 45.38 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 125.55 1.54 . . . . 0.0 110.882 178.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -134.08 144.66 48.75 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.374 1.07 . . . . 0.0 112.687 -174.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -67.53 145.93 54.44 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.681 1.192 . . . . 0.0 111.685 174.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -89.38 -8.88 52.22 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.584 1.154 . . . . 0.0 112.726 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -121.71 -20.01 6.62 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.779 1.232 . . . . 0.0 114.217 -169.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.8 p -149.71 -178.3 6.37 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.547 1.539 . . . . 0.0 112.31 175.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m -84.57 28.27 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.822 1.416 . . . . 0.0 114.822 -174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -84.51 141.72 30.55 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.257 1.423 . . . . 0.0 112.498 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 31.5 p -136.46 147.74 47.35 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.471 1.508 . . . . 0.0 112.119 175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.7 p -152.76 178.23 9.85 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.439 1.496 . . . . 0.0 113.117 -174.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.62 -6.07 34.09 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -169.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.6 p -155.53 162.93 40.59 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 177.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -60.63 -29.53 69.3 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.069 0.947 . . . . 0.0 112.044 169.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.17 -46.77 86.64 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 124.148 0.88 . . . . 0.0 112.587 172.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -62.2 -40.21 95.31 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 118.211 1.006 . . . . 0.0 111.808 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.5 tp -62.68 -44.22 96.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.977 0.911 . . . . 0.0 112.093 175.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.33 -46.42 90.32 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.876 0.87 . . . . 0.0 111.546 175.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.0 t -62.05 -40.87 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.634 0.773 . . . . 0.0 111.454 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -59.97 -49.58 77.11 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.977 0.808 . . . . 0.0 111.88 173.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.4 mt -62.5 -43.23 98.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 O-C-N 121.396 -0.815 . . . . 0.0 111.285 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -74.81 -1.52 22.54 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -177.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -119.37 -37.52 3.16 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 120.453 -1.405 . . . . 0.0 113.563 170.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -97.61 -27.76 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.262 1.025 . . . . 0.0 112.619 -172.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -127.64 36.62 4.34 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.781 1.232 . . . . 0.0 113.298 -170.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -57.4 -20.28 28.85 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 125.428 1.491 . . . . 0.0 114.965 -178.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -66.26 -21.69 66.29 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.263 1.825 . . . . 0.0 114.283 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.87 146.95 25.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.401 1.481 . . . . 0.0 110.863 171.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.1 mttm . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.25 1.42 . . . . 0.0 112.241 -169.396 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.574 0 N-CA-C 111.795 -0.522 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -67.91 148.89 50.51 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.577 1.151 . . . . 0.0 113.011 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 p -76.11 -30.19 58.14 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.565 1.146 . . . . 0.0 113.96 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.23 10.06 68.72 Favored Glycine 0 CA--C 1.539 1.547 0 C-N-CA 124.672 1.13 . . . . 0.0 114.941 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.8 p -79.86 -14.44 58.65 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.933 1.366 . . . . 0.0 114.649 -175.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.7 p -138.85 -50.41 0.53 Allowed 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.047 1.339 . . . . 0.0 113.188 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.62 -127.83 39.92 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.283 0.944 . . . . 0.0 113.011 178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 57.98 39.03 26.87 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.597 1.559 . . . . 0.0 114.626 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -68.64 150.48 47.92 Favored 'General case' 0 N--CA 1.476 0.825 0 O-C-N 121.208 -0.932 . . . . 0.0 110.758 169.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -80.15 91.3 5.53 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 122.06 0.933 . . . . 0.0 110.099 175.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.39 158.01 44.89 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.167 1.787 . . . . 0.0 111.891 -176.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.0 t -67.3 146.23 54.33 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.217 1.407 . . . . 0.0 112.086 -179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -85.74 -9.91 56.4 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.536 1.134 . . . . 0.0 112.792 177.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -119.92 -24.31 6.14 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.857 1.263 . . . . 0.0 113.963 -169.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -147.81 -178.25 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.382 1.473 . . . . 0.0 112.417 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.8 m -84.24 25.82 0.82 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.846 1.425 . . . . 0.0 114.846 -175.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -81.15 140.81 34.78 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.895 1.278 . . . . 0.0 112.146 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.2 t -151.81 151.2 31.03 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.593 1.557 . . . . 0.0 110.193 170.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.2 t -147.5 150.64 34.95 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.971 0.908 . . . . 0.0 112.599 -173.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.6 tp -69.68 -29.93 67.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.406 1.082 . . . . 0.0 112.034 171.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.9 t -82.81 123.28 29.2 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.937 0.895 . . . . 0.0 111.703 174.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.8 -16.27 60.72 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.058 1.343 . . . . 0.0 112.587 175.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.06 -39.52 8.5 Favored Glycine 0 CA--C 1.532 1.104 0 C-N-CA 124.947 1.261 . . . . 0.0 112.779 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -62.53 -33.77 75.56 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 118.194 0.997 . . . . 0.0 111.935 178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.63 -39.84 95.1 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.342 0.657 . . . . 0.0 112.451 173.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -67.78 -45.52 74.62 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.142 0.577 . . . . 0.0 110.751 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.5 t -58.77 -40.91 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 123.838 0.855 . . . . 0.0 111.547 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -59.23 -53.3 59.9 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.276 1.031 . . . . 0.0 111.742 174.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 95.6 mt -62.34 -35.9 71.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 121.328 -0.858 . . . . 0.0 111.478 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -78.43 -10.63 59.78 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 115.171 1.545 . . . . 0.0 115.171 -178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -122.82 -23.12 5.12 Favored 'General case' 0 N--CA 1.483 1.2 0 N-CA-C 115.224 1.564 . . . . 0.0 115.224 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.3 t -100.98 -33.16 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.189 0.996 . . . . 0.0 112.661 -176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 88.4 m-70 -121.57 87.94 2.85 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.932 0.893 . . . . 0.0 112.445 -169.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -139.46 165.59 26.82 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.303 1.841 . . . . 0.0 111.687 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -66.26 -18.32 65.28 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.308 1.443 . . . . 0.0 114.305 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.8 tp -132.04 141.06 46.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 125.971 1.708 . . . . 0.0 110.152 171.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp . . . . . 0 C--O 1.252 1.212 0 C-N-CA 126.436 1.894 . . . . 0.0 111.466 -174.671 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.51 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.5 p -69.12 -12.84 62.03 Favored 'General case' 0 N--CA 1.478 0.974 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -176.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 p -78.39 -5.53 52.59 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.814 1.645 . . . . 0.0 114.663 175.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.15 23.11 0.74 Allowed Glycine 0 CA--C 1.541 1.682 0 C-N-CA 125.942 1.734 . . . . 0.0 116.712 -176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.6 m -75.51 -10.03 59.09 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.452 1.501 . . . . 0.0 115.041 -174.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 m -132.43 154.61 49.68 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.613 1.565 . . . . 0.0 112.277 -175.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.41 9.33 0.02 OUTLIER Glycine 0 CA--C 1.539 1.566 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -86.95 -1.5 57.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.985 1.714 . . . . 0.0 114.824 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -71.33 160.86 32.04 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.428 1.491 . . . . 0.0 113.33 177.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -127.63 130.34 48.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.273 1.429 . . . . 0.0 111.104 173.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.8 160.65 39.76 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.655 1.582 . . . . 0.0 112.029 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.6 t -60.84 145.08 51.28 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.999 1.32 . . . . 0.0 112.324 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -85.58 -10.27 56.14 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.408 1.083 . . . . 0.0 112.892 178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -119.62 -20.27 7.77 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.864 1.265 . . . . 0.0 113.98 -171.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -148.68 177.84 9.15 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.301 1.44 . . . . 0.0 112.276 176.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.4 m -82.41 28.76 0.45 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.916 1.286 . . . . 0.0 114.418 -175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -84.65 134.48 34.37 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.144 1.378 . . . . 0.0 112.557 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -127.87 146.84 50.49 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.452 1.901 . . . . 0.0 108.851 174.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.6 166.9 21.85 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.747 1.017 . . . . 0.0 113.747 -169.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.6 tp -80.22 -22.65 41.6 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.303 1.441 . . . . 0.0 113.107 177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.4 t -141.36 143.67 34.12 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.064 1.346 . . . . 0.0 111.855 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -64.63 -29.6 70.61 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.245 1.018 . . . . 0.0 111.866 173.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.37 -42.76 89.48 Favored Glycine 0 CA--C 1.533 1.182 0 C-N-CA 123.666 0.651 . . . . 0.0 112.466 172.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -67.6 -36.01 80.06 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.651 -0.911 . . . . 0.0 111.805 174.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.3 tp -64.43 -38.79 92.25 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.56 -0.713 . . . . 0.0 112.321 171.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -61.42 -42.2 98.36 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.268 -0.895 . . . . 0.0 111.437 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.4 t -64.14 -38.0 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 123.776 0.83 . . . . 0.0 112.017 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 41.9 t60 -59.66 -52.85 63.74 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.145 0.884 . . . . 0.0 111.248 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.37 -37.43 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.37 -0.831 . . . . 0.0 111.459 -178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -68.8 -24.87 64.45 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.884 1.274 . . . . 0.0 114.063 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -118.39 -30.71 5.15 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -169.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -93.56 -18.81 6.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 124.308 1.043 . . . . 0.0 112.666 -171.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -127.36 127.56 44.44 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.266 1.426 . . . . 0.0 111.13 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -67.19 138.49 57.02 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.913 1.685 . . . . 0.0 111.964 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -80.14 150.71 30.11 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.254 1.422 . . . . 0.0 111.854 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.4 pt -133.84 158.99 42.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.647 1.579 . . . . 0.0 112.148 -177.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.0 tttt . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.261 1.824 . . . . 0.0 111.247 179.465 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.677 -0.569 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -77.93 -20.89 51.98 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -174.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -86.82 146.0 26.39 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.438 1.095 . . . . 0.0 112.149 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.77 152.2 50.16 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 123.895 0.76 . . . . 0.0 113.495 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -63.98 -25.27 68.06 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.271 1.028 . . . . 0.0 113.47 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -79.06 -6.54 56.67 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.665 1.586 . . . . 0.0 114.664 175.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.15 148.66 50.45 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 124.35 0.976 . . . . 0.0 113.762 178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -148.13 145.51 28.39 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.01 1.324 . . . . 0.0 111.724 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -144.55 161.33 39.38 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 126.159 1.784 . . . . 0.0 111.396 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -93.79 131.5 39.1 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.887 0.875 . . . . 0.0 110.281 176.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.75 145.64 38.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.508 1.123 . . . . 0.0 112.803 -177.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 48.5 t -69.99 147.92 49.53 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.977 1.311 . . . . 0.0 112.119 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.25 -9.82 43.79 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.876 1.27 . . . . 0.0 112.727 176.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -118.13 -23.06 7.5 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.042 1.337 . . . . 0.0 113.736 -170.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -146.97 -178.59 6.28 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.799 1.64 . . . . 0.0 112.042 177.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.3 p -84.7 22.51 1.32 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.312 1.597 . . . . 0.0 115.312 -176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -77.01 138.6 39.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.346 1.458 . . . . 0.0 112.452 177.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.5 p -130.45 152.85 49.39 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.696 1.598 . . . . 0.0 111.006 172.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.6 t -142.43 161.54 37.78 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.106 0.962 . . . . 0.0 113.376 -169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -91.89 -4.65 54.49 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 114.317 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 t -149.82 138.24 20.65 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.014 1.326 . . . . 0.0 112.106 -171.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.6 tttp -63.86 -38.09 89.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.519 1.128 . . . . 0.0 112.079 173.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.97 -39.34 93.23 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 123.946 0.784 . . . . 0.0 112.616 177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -72.65 -33.97 66.95 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.678 -0.895 . . . . 0.0 112.06 175.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.41 -40.08 92.97 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.324 -0.86 . . . . 0.0 111.924 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -60.29 -43.44 96.28 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.411 -0.806 . . . . 0.0 111.155 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -61.48 -44.08 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-N 119.074 0.852 . . . . 0.0 111.481 172.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -56.09 -52.18 65.23 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.795 1.179 . . . . 0.0 111.601 175.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.12 -45.52 98.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 O-C-N 121.508 -0.745 . . . . 0.0 111.334 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -73.48 -17.29 61.25 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 -176.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -102.36 -36.1 8.58 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.029 1.332 . . . . 0.0 111.616 -177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -106.47 -30.75 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 124.749 1.22 . . . . 0.0 112.772 -170.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -120.89 49.2 1.5 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.024 1.33 . . . . 0.0 112.208 -172.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.26 162.88 11.31 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.426 1.49 . . . . 0.0 112.138 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -55.8 140.37 42.4 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.068 1.347 . . . . 0.0 112.677 -174.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.6 pt -83.53 40.7 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 C-N-CA 126.017 1.727 . . . . 0.0 113.963 -171.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt . . . . . 0 C--O 1.252 1.216 0 C-N-CA 125.478 1.511 . . . . 0.0 112.11 178.584 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -83.33 174.92 10.28 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.816 1.246 . . . . 0.0 113.052 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -74.52 -5.72 44.32 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.073 1.349 . . . . 0.0 114.474 174.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.04 -156.65 53.58 Favored Glycine 0 CA--C 1.538 1.482 0 C-N-CA 124.864 1.221 . . . . 0.0 114.537 177.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.7 p -86.14 0.14 54.29 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.571 1.548 . . . . 0.0 114.771 -178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -60.99 143.27 55.6 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.717 1.207 . . . . 0.0 112.931 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.44 8.88 87.45 Favored Glycine 0 CA--C 1.539 1.59 0 N-CA-C 115.779 1.071 . . . . 0.0 115.779 177.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -69.17 -21.35 63.99 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 119.161 1.48 . . . . 0.0 113.614 178.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -144.45 162.36 36.71 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.618 2.367 . . . . 0.0 110.996 169.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -80.87 154.96 26.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.824 0.85 . . . . 0.0 111.62 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.65 143.91 37.4 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.049 0.94 . . . . 0.0 113.132 -177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.81 147.45 51.73 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.118 1.367 . . . . 0.0 112.062 175.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -86.69 -9.65 55.5 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.826 1.25 . . . . 0.0 113.119 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -123.0 -18.95 6.24 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -169.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.1 p -148.28 176.83 9.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.227 1.411 . . . . 0.0 112.371 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -81.76 26.41 0.5 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.9 t80 -81.7 135.47 35.51 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.225 1.41 . . . . 0.0 111.825 177.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.8 p -119.77 145.24 46.76 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.989 1.315 . . . . 0.0 110.746 170.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -131.55 153.94 49.34 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -167.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 46.5 tp -81.53 -26.21 35.27 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.443 1.497 . . . . 0.0 113.291 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.1 p -145.44 157.44 44.01 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.161 0.984 . . . . 0.0 113.143 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -66.09 -35.23 79.95 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.727 0.811 . . . . 0.0 112.048 176.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.08 -43.46 95.67 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 123.65 0.643 . . . . 0.0 112.984 175.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.08 -32.38 71.78 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 122.025 -0.691 . . . . 0.0 111.63 175.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.9 tp -71.08 -38.72 72.43 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.969 -1.082 . . . . 0.0 112.726 173.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.31 -44.16 97.68 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.306 -0.871 . . . . 0.0 112.026 176.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 p -69.34 -30.23 45.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 CA-C-N 119.04 0.836 . . . . 0.0 112.704 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -60.84 -53.09 61.62 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.159 0.89 . . . . 0.0 110.533 169.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.45 -41.86 93.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.526 -0.734 . . . . 0.0 111.57 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -70.17 -25.59 63.52 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -110.95 -27.31 8.85 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 119.174 0.897 . . . . 0.0 113.167 -173.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.7 t -90.25 -62.06 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 123.71 0.804 . . . . 0.0 110.945 178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -85.19 58.05 4.81 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.072 1.349 . . . . 0.0 114.191 -168.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -74.24 171.53 13.46 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.112 1.765 . . . . 0.0 112.313 169.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -68.2 -15.12 63.45 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 116.454 2.02 . . . . 0.0 116.454 -169.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 19.6 tt -145.65 148.26 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.008 1.323 . . . . 0.0 111.682 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.255 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -93.93 20.13 8.14 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.557 1.543 . . . . 0.0 114.355 -177.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 p -74.03 153.23 39.77 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.306 1.442 . . . . 0.0 113.044 176.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.68 172.32 36.89 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 125.189 1.376 . . . . 0.0 112.519 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.2 p -66.12 -22.09 66.37 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 p -81.32 -19.68 42.36 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.398 1.479 . . . . 0.0 114.028 173.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.79 -158.1 37.51 Favored Glycine 0 CA--C 1.539 1.576 0 C-N-CA 124.9 1.238 . . . . 0.0 114.89 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 61.32 172.3 0.11 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.238 2.215 . . . . 0.0 116.131 177.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -140.43 164.85 29.02 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 128.165 2.586 . . . . 0.0 109.155 171.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -76.0 133.64 40.35 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.902 -0.499 . . . . 0.0 110.501 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.67 148.24 42.11 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.4 1.08 . . . . 0.0 112.923 -169.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -68.86 149.03 49.39 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.201 1.4 . . . . 0.0 112.454 175.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -90.33 -10.49 43.86 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.968 1.307 . . . . 0.0 112.813 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -118.77 -23.19 7.09 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.014 1.326 . . . . 0.0 113.81 -170.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.3 p -147.39 -177.31 5.62 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.641 1.576 . . . . 0.0 112.344 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.4 p -85.91 22.11 1.77 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 115.351 1.612 . . . . 0.0 115.351 -176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -74.8 137.94 42.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.2 1.4 . . . . 0.0 112.123 176.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 74.1 p -136.36 151.98 50.15 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.538 1.535 . . . . 0.0 111.343 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 27.4 p -151.36 169.1 22.82 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -173.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.3 tp -90.82 -7.53 52.08 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.556 1.542 . . . . 0.0 113.906 -176.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -145.62 142.53 29.16 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.349 1.06 . . . . 0.0 112.962 -178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -61.38 -27.02 68.23 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.357 1.063 . . . . 0.0 112.55 171.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.6 -42.36 97.4 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 118.485 0.584 . . . . 0.0 112.328 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -68.35 -36.43 79.21 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.831 -0.805 . . . . 0.0 111.71 175.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.82 -44.57 96.58 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.766 0.826 . . . . 0.0 112.099 172.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -62.0 -48.4 80.49 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.074 0.949 . . . . 0.0 110.883 177.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.26 -38.47 81.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 C-N-CA 124.356 1.062 . . . . 0.0 112.341 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -59.22 -56.53 20.94 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.759 0.824 . . . . 0.0 111.192 173.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.7 -41.49 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 123.803 0.841 . . . . 0.0 111.438 -178.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.49 -27.28 69.17 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.723 1.209 . . . . 0.0 113.746 -178.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -110.29 -27.59 9.01 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -169.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -117.56 -17.54 7.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 114.942 1.46 . . . . 0.0 114.942 -173.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -115.73 15.4 16.46 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.43 135.51 55.31 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.949 0.899 . . . . 0.0 110.172 169.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -72.05 137.34 47.09 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.029 0.931 . . . . 0.0 112.07 -176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.9 mt -134.35 138.22 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 126.389 1.875 . . . . 0.0 108.666 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.254 1.332 0 C-N-CA 125.917 1.687 . . . . 0.0 111.773 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.914 -0.474 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.4 p -147.29 163.7 35.57 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.279 1.432 . . . . 0.0 112.587 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -148.48 163.5 36.99 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.366 1.466 . . . . 0.0 111.437 177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.98 140.26 39.74 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.425 1.012 . . . . 0.0 113.638 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.2 p -102.9 -1.15 30.05 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.528 1.531 . . . . 0.0 114.594 -175.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -139.95 165.85 26.23 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.86 1.664 . . . . 0.0 112.928 -175.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.9 -29.38 0.14 Allowed Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.196 0.903 . . . . 0.0 114.486 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -81.41 48.67 1.18 Allowed 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.34 1.456 . . . . 0.0 112.487 179.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -79.34 52.66 1.38 Allowed 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.225 1.81 . . . . 0.0 112.702 -173.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -80.37 138.05 36.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.218 1.407 . . . . 0.0 111.511 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.4 165.77 26.33 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.587 2.355 . . . . 0.0 111.052 -175.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.3 t -59.16 141.71 53.49 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 121.775 0.797 . . . . 0.0 111.626 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -86.1 -10.33 55.08 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.347 1.059 . . . . 0.0 113.017 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -124.2 -16.7 6.38 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -171.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -147.02 -178.61 6.29 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.306 1.442 . . . . 0.0 111.919 173.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 p -85.88 23.04 1.53 Allowed 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -177.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -80.81 141.32 34.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.837 1.255 . . . . 0.0 113.219 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.7 p -140.8 148.14 40.14 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.573 1.949 . . . . 0.0 110.839 175.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 t -142.21 152.39 43.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.367 1.067 . . . . 0.0 110.92 173.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.85 -41.33 78.6 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.941 0.896 . . . . 0.0 110.822 172.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.8 t -77.06 112.5 13.77 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.513 0.725 . . . . 0.0 110.464 170.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -74.91 -19.45 60.13 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.87 -0.519 . . . . 0.0 112.291 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.86 -41.96 80.53 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.022 0.82 . . . . 0.0 111.732 168.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -66.58 -36.6 83.02 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.518 -0.989 . . . . 0.0 112.004 172.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -65.49 -40.28 92.91 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.474 -0.766 . . . . 0.0 112.608 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -59.53 -43.57 93.42 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.791 0.837 . . . . 0.0 111.408 172.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.14 -43.99 99.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-O 118.006 -0.997 . . . . 0.0 111.413 172.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -54.55 -50.05 68.85 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 120.422 1.464 . . . . 0.0 111.732 175.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.8 -41.8 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 O-C-N 121.684 -0.635 . . . . 0.0 110.968 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -80.16 -10.71 59.77 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 50.9 tpt85 -114.81 -35.13 4.91 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.124 1.37 . . . . 0.0 113.145 -174.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.5 t -96.76 -31.56 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.592 1.157 . . . . 0.0 112.044 -172.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -109.85 30.2 6.91 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.744 1.218 . . . . 0.0 113.584 -172.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -64.75 142.97 58.24 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 121.365 -0.834 . . . . 0.0 110.602 169.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 51.4 34.81 12.63 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.87 1.668 . . . . 0.0 113.946 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 tp -64.39 146.54 13.05 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 124.927 1.291 . . . . 0.0 112.286 -178.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.3 tptt . . . . . 0 C--O 1.252 1.231 0 C-N-CA 125.743 1.617 . . . . 0.0 112.677 -176.841 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.995 -0.442 . . . . 0.0 111.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -148.38 156.68 42.8 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.168 1.387 . . . . 0.0 111.736 178.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -152.22 158.5 42.94 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.578 1.551 . . . . 0.0 111.505 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.3 4.94 75.48 Favored Glycine 0 CA--C 1.54 1.656 0 C-N-CA 124.803 1.192 . . . . 0.0 115.661 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -141.62 34.28 1.63 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.949 1.7 . . . . 0.0 111.142 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -79.2 52.89 1.38 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.799 2.04 . . . . 0.0 114.356 -168.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.41 20.93 78.36 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.587 1.089 . . . . 0.0 115.415 174.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -75.67 132.96 40.91 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 118.759 1.279 . . . . 0.0 112.481 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.58 147.93 27.38 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 126.221 1.808 . . . . 0.0 111.308 175.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -108.19 156.25 19.54 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.85 1.26 . . . . 0.0 113.445 -170.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.36 161.56 24.94 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.405 1.482 . . . . 0.0 113.971 -178.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -59.94 142.2 54.15 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 121.979 0.895 . . . . 0.0 112.112 171.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -89.18 -10.95 45.22 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.007 1.323 . . . . 0.0 112.73 176.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -116.3 -22.28 8.91 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.048 1.339 . . . . 0.0 113.652 -171.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.5 p -147.43 175.75 10.56 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.594 1.557 . . . . 0.0 112.268 176.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.9 m -82.54 36.41 0.48 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.125 1.37 . . . . 0.0 114.102 -173.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -102.85 141.74 35.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.11 1.364 . . . . 0.0 114.645 -169.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 p -144.99 153.53 41.59 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 127.687 2.395 . . . . 0.0 110.842 169.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -140.06 177.89 7.66 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 125.282 1.433 . . . . 0.0 110.791 169.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -84.16 -24.14 30.31 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 -170.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.3 m -88.28 149.97 23.51 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.082 0.953 . . . . 0.0 113.059 -170.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.21 -35.04 77.66 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.11 -3.33 73.12 Favored Glycine 0 CA--C 1.536 1.387 0 C-N-CA 125.388 1.47 . . . . 0.0 115.983 -178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 19.4 p-80 -58.23 -37.34 74.66 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.434 1.617 . . . . 0.0 113.867 -168.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.2 -39.1 89.41 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.853 0.861 . . . . 0.0 112.317 -176.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -62.15 -47.79 82.96 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.455 0.702 . . . . 0.0 110.859 177.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 42.9 t -65.54 -41.57 91.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.069 0.548 . . . . 0.0 111.032 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -59.39 -47.1 86.74 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 118.894 0.77 . . . . 0.0 112.355 178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.28 -41.96 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.285 -0.884 . . . . 0.0 110.808 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -76.73 -1.0 25.78 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -130.61 -38.52 1.32 Allowed 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.728 -1.233 . . . . 0.0 114.24 -178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.4 t -96.61 -38.68 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.517 1.127 . . . . 0.0 111.771 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -104.89 4.08 31.61 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -78.81 53.31 1.35 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.015 1.726 . . . . 0.0 111.836 174.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -81.11 162.71 23.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.591 1.556 . . . . 0.0 113.435 -175.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 78.1 mt -90.75 137.19 22.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 124.88 1.272 . . . . 0.0 108.735 169.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 64.0 pttt . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.861 1.665 . . . . 0.0 112.662 178.231 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.567 0 N-CA-C 111.493 -0.643 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -62.94 -19.84 64.64 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 115.054 1.501 . . . . 0.0 115.054 -172.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -78.53 -5.17 51.93 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.083 1.353 . . . . 0.0 114.288 177.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.8 158.81 46.8 Favored Glycine 0 CA--C 1.54 1.652 0 C-N-CA 124.488 1.042 . . . . 0.0 114.279 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -144.11 164.06 31.77 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.368 1.467 . . . . 0.0 113.174 -175.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 m -71.44 160.42 32.77 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.325 1.45 . . . . 0.0 113.862 -177.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.84 -174.12 55.27 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 124.747 1.165 . . . . 0.0 113.962 -177.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -144.88 158.65 43.72 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.371 1.068 . . . . 0.0 113.003 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.0 66.66 1.2 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.41 1.884 . . . . 0.0 110.492 -172.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -81.91 160.95 23.28 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.998 1.319 . . . . 0.0 113.872 -169.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.09 157.44 15.89 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.059 1.344 . . . . 0.0 113.287 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 51.4 t -67.33 146.57 53.96 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.524 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -83.83 -11.81 56.48 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.942 1.297 . . . . 0.0 112.884 176.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -120.2 -21.66 6.9 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.616 1.167 . . . . 0.0 113.895 -169.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -149.53 -176.32 5.35 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.642 1.577 . . . . 0.0 112.309 178.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 p -86.36 21.84 1.98 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 -176.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -76.24 145.49 39.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.014 1.325 . . . . 0.0 112.475 174.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.8 m -136.39 143.15 43.85 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.525 1.53 . . . . 0.0 109.403 169.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.4 p -97.04 159.66 14.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.06 0.944 . . . . 0.0 113.314 -173.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -81.15 -16.51 52.75 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 113.275 0.843 . . . . 0.0 113.275 169.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.2 t -165.06 144.38 6.77 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 128.188 2.595 . . . . 0.0 108.45 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -54.46 -26.06 28.82 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -175.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -58.77 -35.05 80.23 Favored Glycine 0 CA--C 1.538 1.492 0 O-C-N 121.469 -0.77 . . . . 0.0 113.668 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -78.04 -25.71 47.98 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 118.33 1.065 . . . . 0.0 112.125 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.39 -38.36 87.36 Favored 'General case' 0 N--CA 1.472 0.625 0 O-C-N 120.834 -1.166 . . . . 0.0 111.72 171.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -60.95 -43.3 98.89 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.658 -0.651 . . . . 0.0 111.499 172.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -63.88 -41.75 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 123.929 0.891 . . . . 0.0 111.671 174.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -58.62 -49.72 76.45 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.629 0.772 . . . . 0.0 111.549 175.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 97.8 mt -63.32 -41.75 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 O-C-N 121.612 -0.68 . . . . 0.0 111.132 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.58 1.18 20.37 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -125.74 -44.36 1.81 Allowed 'General case' 0 N--CA 1.481 1.098 0 O-C-N 120.432 -1.418 . . . . 0.0 113.718 171.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.8 t -83.78 -30.22 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.096 0.958 . . . . 0.0 111.756 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -125.03 31.35 5.65 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.688 1.595 . . . . 0.0 111.805 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -55.67 -17.76 6.49 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.381 2.272 . . . . 0.0 115.905 -168.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -56.82 -41.16 77.3 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.631 1.172 . . . . 0.0 112.235 169.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . 0.265 64.2 mt 51.21 -84.37 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 128.399 2.68 . . . . 0.0 113.716 178.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 C--O 1.252 1.23 0 C-N-CA 126.905 2.082 . . . . 0.0 111.252 179.061 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.614 -0.594 . . . . 0.0 111.614 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -66.65 152.26 45.73 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 124.672 1.189 . . . . 0.0 113.125 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 t -148.17 153.3 38.61 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.232 1.413 . . . . 0.0 111.929 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.59 -14.72 82.18 Favored Glycine 0 CA--C 1.539 1.59 0 C-N-CA 124.329 0.966 . . . . 0.0 114.231 172.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.3 m -72.47 145.48 47.53 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.517 1.158 . . . . 0.0 112.634 178.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -109.9 158.48 18.15 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 125.781 1.632 . . . . 0.0 113.34 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.74 -163.22 33.21 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.961 1.267 . . . . 0.0 114.052 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 55.62 37.78 29.32 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.6 1.56 . . . . 0.0 114.141 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -64.39 158.01 24.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.196 1.399 . . . . 0.0 113.321 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -80.93 118.54 22.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.723 0.809 . . . . 0.0 109.707 171.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -139.93 150.03 44.04 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.005 0.922 . . . . 0.0 112.93 -178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 47.9 t -67.94 150.36 48.61 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.638 1.575 . . . . 0.0 112.727 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -94.99 -9.05 35.11 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.29 1.436 . . . . 0.0 112.74 175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.14 -20.06 9.42 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.305 1.442 . . . . 0.0 113.644 -171.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.4 p -150.3 -178.57 6.59 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.864 1.666 . . . . 0.0 112.055 175.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 m -84.97 28.04 0.72 Allowed 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 -176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -81.6 135.64 35.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.377 1.471 . . . . 0.0 112.708 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 90.1 m -111.59 147.16 36.03 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.778 1.631 . . . . 0.0 109.736 169.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 t -131.82 160.36 35.84 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.246 1.418 . . . . 0.0 113.019 -172.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -83.4 -25.13 31.58 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.892 1.277 . . . . 0.0 113.217 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 t -154.52 148.8 26.02 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.996 1.319 . . . . 0.0 111.687 -177.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -56.41 -34.85 67.16 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.204 1.002 . . . . 0.0 112.109 169.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.32 -25.28 73.65 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.252 0.929 . . . . 0.0 114.236 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -90.95 -35.06 14.92 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.514 1.126 . . . . 0.0 111.389 173.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.68 -35.08 76.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.181 0.992 . . . . 0.0 112.007 173.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -54.31 -41.29 68.81 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.755 1.222 . . . . 0.0 112.208 170.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.75 -39.6 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.716 0.806 . . . . 0.0 111.093 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -61.82 -44.33 97.06 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.229 -0.919 . . . . 0.0 111.982 174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -71.99 -27.19 26.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 120.933 -1.105 . . . . 0.0 112.325 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -102.23 -23.85 13.97 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -174.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -118.61 -44.56 2.64 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.222 1.409 . . . . 0.0 112.578 -175.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.6 t -71.92 -52.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -81.64 125.58 30.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 167.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 44.1 mmtm -78.48 51.46 1.05 Allowed 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 126.474 1.91 . . . . 0.0 112.207 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 ttpp -78.52 54.03 1.4 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 127.484 2.313 . . . . 0.0 111.522 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.1 pt -123.55 5.52 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 125.886 1.674 . . . . 0.0 114.104 -169.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.253 1.237 0 C-N-CA 126.493 1.917 . . . . 0.0 111.426 178.17 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_