data_2rv5_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 2rv5 _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 ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 N--CA 1.472 0.648 0 CA-C-O 119.564 -0.255 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.08 140.23 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.105 0.866 . . . . 0.0 112.687 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.23 135.35 57.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.916 1.686 . . . . 0.0 111.695 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -5.99 59.15 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.829 0.852 . . . . 0.0 112.745 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.88 -54.35 2.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.846 1.258 . . . . 0.0 111.87 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 p -106.86 -0.28 23.41 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 mt 60.63 23.21 13.01 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.18 1.792 . . . . 0.0 115.49 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -80.91 141.03 34.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.546 1.938 . . . . 0.0 112.556 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -96.83 148.59 22.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.925 1.29 . . . . 0.0 113.459 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -138.89 153.1 48.25 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.317 2.247 . . . . 0.0 112.028 -173.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.27 -23.62 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.404 1.082 . . . . 0.0 113.701 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.03 162.23 39.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.204 1.001 . . . . 0.0 112.979 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 p -64.58 -32.67 74.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.463 172.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.1 mm -66.43 -45.86 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.199 0.909 . . . . 0.0 110.732 172.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.9 -34.0 76.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.909 0.484 . . . . 0.0 111.598 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.52 -53.68 26.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.28 1.032 . . . . 0.0 111.818 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -55.12 -46.7 75.6 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.277 -0.89 . . . . 0.0 112.167 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.7 m -71.74 -34.48 69.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.379 1.072 . . . . 0.0 113.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.07 -45.39 68.11 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.538 1.063 . . . . 0.0 111.712 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.08 -37.58 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 122.744 0.418 . . . . 0.0 110.393 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -75.29 -35.15 61.33 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.337 -0.852 . . . . 0.0 111.898 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.39 -39.27 81.75 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.039 0.936 . . . . 0.0 112.895 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.88 -27.37 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -170.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -101.09 -12.06 19.12 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.26 0.624 . . . . 0.0 112.164 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 125.706 1.622 . . . . 0.0 116.24 173.116 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.426 0.158 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.01 139.85 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.169 0.988 . . . . 0.0 111.226 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -62.85 124.82 22.04 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.172 1.389 . . . . 0.0 111.872 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.83 -6.14 39.43 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.0 -54.61 2.51 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.137 1.375 . . . . 0.0 111.889 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -107.15 -0.77 22.54 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.253 3.4 mm? 60.51 20.6 10.36 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.207 1.803 . . . . 0.0 115.056 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -72.42 141.0 48.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.064 1.345 . . . . 0.0 112.091 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -89.77 151.99 21.53 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.314 1.446 . . . . 0.0 113.826 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -141.75 153.26 44.48 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 127.466 2.306 . . . . 0.0 112.932 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.88 -30.82 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.453 1.501 . . . . 0.0 113.42 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 t -147.97 153.03 38.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.871 1.268 . . . . 0.0 111.307 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -62.02 -30.38 70.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.932 0.893 . . . . 0.0 112.575 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.04 -41.99 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 119.4 1.0 . . . . 0.0 110.775 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -60.29 -41.99 94.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 111.048 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 tp -69.99 -46.9 64.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.832 1.253 . . . . 0.0 112.276 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -55.64 -43.77 76.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.085 0.954 . . . . 0.0 111.984 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -77.77 -32.14 52.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.334 1.054 . . . . 0.0 113.387 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -55.18 -43.42 74.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.348 0.976 . . . . 0.0 111.77 171.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.47 -37.37 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 121.742 -0.599 . . . . 0.0 110.491 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -74.2 -35.9 63.97 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.109 -0.994 . . . . 0.0 111.901 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.93 -33.98 44.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.304 1.042 . . . . 0.0 113.435 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -109.54 -33.46 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.202 1.001 . . . . 0.0 113.111 -170.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -113.38 -10.91 13.22 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.249 1.404 . . . . 0.0 116.443 171.37 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -133.85 138.98 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.467 -0.77 . . . . 0.0 111.651 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 t -58.98 135.08 57.5 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.485 1.514 . . . . 0.0 111.522 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -6.7 59.52 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.796 0.838 . . . . 0.0 112.602 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -108.55 -53.28 2.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.922 1.289 . . . . 0.0 111.728 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.98 -0.26 19.68 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.0 mt 61.23 21.98 12.37 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 126.004 1.722 . . . . 0.0 115.447 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.24 140.44 38.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.286 1.834 . . . . 0.0 112.594 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -95.14 149.27 21.47 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.312 1.445 . . . . 0.0 113.63 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -141.75 152.98 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.609 2.364 . . . . 0.0 112.452 -173.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.39 -33.62 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.809 1.243 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -144.31 157.73 44.12 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.142 1.377 . . . . 0.0 111.927 -173.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -59.58 -39.88 85.55 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.183 0.993 . . . . 0.0 112.861 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.54 -41.89 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.36 1.064 . . . . 0.0 111.761 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -61.78 -41.4 97.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.521 1.128 . . . . 0.0 110.861 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.88 -48.4 63.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.269 1.028 . . . . 0.0 112.09 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -54.62 -50.34 68.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.832 0.853 . . . . 0.0 111.323 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.5 m -67.1 -36.3 81.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.778 0.831 . . . . 0.0 112.92 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -54.26 -46.5 72.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.666 1.121 . . . . 0.0 111.684 170.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.03 -40.76 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 122.024 -0.422 . . . . 0.0 110.254 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -70.1 -38.77 75.72 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.415 -0.803 . . . . 0.0 112.413 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -67.4 -41.76 84.43 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.25 1.02 . . . . 0.0 113.142 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.16 -27.61 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -100.33 -14.28 18.45 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.369 0.532 . . . . 0.0 112.009 176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.276 0 C-N-CA 125.29 1.424 . . . . 0.0 115.518 175.806 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.469 0.5 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.91 138.88 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.39 0.995 . . . . 0.0 113.014 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -58.21 135.6 57.13 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.795 1.638 . . . . 0.0 111.65 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.62 -6.12 59.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.836 0.854 . . . . 0.0 112.742 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.12 -53.96 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.836 1.255 . . . . 0.0 111.817 -171.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.54 0.15 22.49 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 mt 60.83 23.46 13.46 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 115.536 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -81.65 140.93 34.1 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.438 1.895 . . . . 0.0 112.666 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -95.61 146.54 24.4 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.413 1.485 . . . . 0.0 113.279 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -136.1 153.78 51.2 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.187 2.195 . . . . 0.0 112.899 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.51 -26.56 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.543 1.537 . . . . 0.0 113.888 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -148.85 152.91 37.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.566 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 p -59.52 -30.28 68.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.997 0.919 . . . . 0.0 112.142 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mm -66.97 -42.98 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.971 0.908 . . . . 0.0 111.434 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mmm-85 -63.79 -39.44 94.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 111.248 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.09 -50.73 67.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.719 1.208 . . . . 0.0 111.316 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -58.69 -43.9 90.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.415 -0.803 . . . . 0.0 111.878 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -70.7 -37.87 73.63 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.993 0.917 . . . . 0.0 112.988 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -52.61 -45.53 66.62 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.905 0.882 . . . . 0.0 111.907 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.26 -36.52 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 122.758 0.423 . . . . 0.0 110.487 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -75.04 -36.56 61.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.143 -0.973 . . . . 0.0 111.592 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.94 -36.8 72.76 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.275 1.03 . . . . 0.0 113.156 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.76 -28.65 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -174.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -100.36 -11.68 20.07 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.643 0.656 . . . . 0.0 112.42 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.255 0 C-N-CA 125.741 1.638 . . . . 0.0 116.48 172.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 119.135 -0.459 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -123.41 137.67 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 119.17 0.895 . . . . 0.0 112.49 -171.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.63 123.34 18.59 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.424 1.49 . . . . 0.0 111.685 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.0 -6.22 40.57 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.37 -52.9 2.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.237 1.415 . . . . 0.0 111.793 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -109.98 0.73 18.65 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.254 3.3 mm? 61.16 21.88 12.25 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.196 1.798 . . . . 0.0 115.129 174.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -80.13 139.46 36.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.674 1.589 . . . . 0.0 112.42 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -88.04 150.73 23.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.773 1.229 . . . . 0.0 113.616 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -136.14 155.13 50.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.465 2.706 . . . . 0.0 111.83 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.46 -29.94 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.119 1.368 . . . . 0.0 113.465 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 t -147.88 152.98 38.51 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.104 1.362 . . . . 0.0 111.425 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 t -55.64 -34.7 65.17 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.325 1.05 . . . . 0.0 111.563 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.08 -39.83 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.021 -1.049 . . . . 0.0 111.206 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -62.84 -40.45 97.48 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.237 0.615 . . . . 0.0 111.135 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.92 -45.37 78.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.412 1.085 . . . . 0.0 111.978 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -54.3 -52.88 60.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 111.091 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -68.22 -34.03 75.5 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.65 0.78 . . . . 0.0 112.969 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -55.09 -44.89 75.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.557 1.071 . . . . 0.0 111.588 169.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.27 -41.22 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.794 0.725 . . . . 0.0 110.282 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -69.0 -39.11 79.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.407 -0.808 . . . . 0.0 112.566 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.34 -35.6 47.33 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.58 -27.95 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.109 0.964 . . . . 0.0 113.538 -167.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -112.83 -15.19 12.97 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 115.766 173.688 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 119.094 -0.479 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.15 139.75 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.579 1.082 . . . . 0.0 112.466 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.53 134.22 56.86 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.806 1.642 . . . . 0.0 112.365 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.62 -6.16 57.91 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.698 0.799 . . . . 0.0 112.769 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.2 -52.83 2.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.995 1.318 . . . . 0.0 111.876 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.9 -2.8 16.97 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.2 mp 59.74 27.5 16.78 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.09 1.756 . . . . 0.0 115.025 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -79.86 142.06 35.57 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.691 1.997 . . . . 0.0 112.268 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -96.56 146.9 24.4 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.425 1.49 . . . . 0.0 113.499 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -138.18 152.51 48.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.179 2.192 . . . . 0.0 113.197 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.69 -30.88 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.212 1.805 . . . . 0.0 113.608 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -148.77 152.67 36.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.837 1.255 . . . . 0.0 111.436 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 p -57.83 -29.73 65.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.396 1.078 . . . . 0.0 112.56 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.53 -43.91 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.92 0.888 . . . . 0.0 111.595 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -64.63 -40.15 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.994 0.918 . . . . 0.0 110.779 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.41 -48.25 76.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.588 1.155 . . . . 0.0 111.344 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -58.05 -50.44 73.43 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.443 -0.786 . . . . 0.0 111.015 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -63.65 -36.56 84.23 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.474 0.71 . . . . 0.0 112.74 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.98 -44.85 78.93 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.387 -0.82 . . . . 0.0 111.727 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.61 -42.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.921 0.782 . . . . 0.0 110.274 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -66.49 -40.46 89.31 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.594 -0.691 . . . . 0.0 112.584 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -79.77 -34.75 39.51 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -107.72 -32.87 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.166 0.986 . . . . 0.0 113.02 -169.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -109.63 -15.48 14.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.273 0 N-CA-C 116.009 1.164 . . . . 0.0 116.009 172.501 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.3 t -128.37 139.2 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.101 0.864 . . . . 0.0 112.079 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.18 121.38 14.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.491 1.516 . . . . 0.0 111.7 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -6.58 41.6 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.58 -51.24 3.24 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.229 1.411 . . . . 0.0 111.599 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.48 0.69 14.79 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.256 3.3 mm? 61.4 22.12 12.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.328 1.851 . . . . 0.0 115.027 175.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -79.73 139.2 37.4 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.984 1.714 . . . . 0.0 112.268 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -95.56 148.09 22.87 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.864 1.266 . . . . 0.0 113.328 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.64 154.05 49.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.319 2.248 . . . . 0.0 112.628 -174.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.82 -28.51 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.84 1.656 . . . . 0.0 113.671 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 t -150.28 151.17 32.55 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.278 1.431 . . . . 0.0 111.372 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -60.69 -30.28 69.84 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.136 0.974 . . . . 0.0 112.318 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.36 -46.65 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.431 1.014 . . . . 0.0 110.505 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.89 -37.23 86.65 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.608 0.763 . . . . 0.0 111.182 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.2 -46.94 72.39 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.87 0.868 . . . . 0.0 112.024 173.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -56.87 -50.16 73.32 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.203 -0.935 . . . . 0.0 111.147 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.5 m -67.27 -35.39 79.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.319 1.048 . . . . 0.0 112.821 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -55.09 -46.41 75.49 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.201 0.909 . . . . 0.0 111.19 169.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.21 -40.85 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.691 -0.631 . . . . 0.0 110.379 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -68.77 -38.87 80.33 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.02 0.827 . . . . 0.0 112.945 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.49 -29.75 21.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.5 -37.49 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.22 1.008 . . . . 0.0 112.907 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -108.13 -14.65 14.68 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.294 0 C-N-CA 124.652 1.12 . . . . 0.0 115.694 173.774 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 119.694 -0.194 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.18 139.35 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.768 0.827 . . . . 0.0 111.448 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.21 123.49 18.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.566 1.546 . . . . 0.0 111.9 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -6.97 45.03 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.41 -52.38 2.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.245 1.418 . . . . 0.0 111.761 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.0 p -111.88 1.07 16.34 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.255 3.3 mm? 60.35 24.36 13.86 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.085 1.754 . . . . 0.0 114.918 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -83.28 139.92 32.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.537 1.935 . . . . 0.0 112.232 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -95.44 147.98 22.96 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.962 1.305 . . . . 0.0 113.666 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.83 153.65 45.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.417 2.287 . . . . 0.0 112.354 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.34 -37.89 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.95 1.3 . . . . 0.0 113.327 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.3 m -145.32 157.29 44.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.231 1.413 . . . . 0.0 111.317 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -56.39 -37.56 70.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.466 1.107 . . . . 0.0 113.201 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -59.74 -44.97 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.301 1.041 . . . . 0.0 112.004 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.201 0.6 . . . . 0.0 111.105 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.9 -48.55 68.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.537 0.735 . . . . 0.0 111.674 171.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -56.09 -53.02 62.01 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.458 1.026 . . . . 0.0 111.303 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.3 m -59.82 -35.95 75.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.766 0.826 . . . . 0.0 113.149 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -58.85 -45.3 90.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.569 1.077 . . . . 0.0 111.821 169.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.84 -42.15 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.998 0.817 . . . . 0.0 110.347 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -64.79 -42.72 94.83 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.992 0.815 . . . . 0.0 112.735 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.77 -34.19 52.4 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 t -108.13 -33.12 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.923 0.889 . . . . 0.0 113.118 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -110.94 -13.99 14.03 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.26 0 C-N-CA 124.252 0.929 . . . . 0.0 115.364 172.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.54 139.28 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.841 0.746 . . . . 0.0 111.786 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.0 t -61.66 124.16 19.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.6 1.56 . . . . 0.0 111.962 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.24 47.99 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.03 -52.26 2.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.157 1.383 . . . . 0.0 111.819 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.5 p -112.74 1.12 15.52 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.257 3.4 mm? 60.48 23.59 13.23 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.006 1.722 . . . . 0.0 114.819 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.94 139.81 36.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.135 1.774 . . . . 0.0 112.209 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -97.65 148.57 23.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.194 1.397 . . . . 0.0 113.694 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -141.52 152.38 44.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.144 2.178 . . . . 0.0 112.78 -172.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -71.57 -31.4 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.556 1.543 . . . . 0.0 113.762 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -150.96 155.13 38.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.594 1.558 . . . . 0.0 110.228 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.4 p -59.26 -29.82 67.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.71 -44.23 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.063 0.945 . . . . 0.0 111.941 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -69.15 -34.62 75.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.527 0.731 . . . . 0.0 110.99 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.05 -46.03 68.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.209 1.003 . . . . 0.0 112.345 172.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -54.96 -52.25 63.62 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.369 0.986 . . . . 0.0 110.659 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -68.93 -32.54 72.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.46 -47.44 76.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.652 1.114 . . . . 0.0 111.396 170.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.38 -42.66 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 118.071 0.396 . . . . 0.0 110.141 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -67.24 -39.33 86.17 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.697 -0.627 . . . . 0.0 112.366 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.41 -38.16 68.46 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.08 -29.88 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -99.22 -14.77 19.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.396 0.544 . . . . 0.0 112.028 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.404 0 C-N-CA 124.914 1.245 . . . . 0.0 116.011 172.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 t -133.22 141.17 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.326 0.967 . . . . 0.0 112.395 -172.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.8 t -57.69 135.64 56.77 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.878 1.671 . . . . 0.0 112.156 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.01 -5.82 59.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.842 0.857 . . . . 0.0 112.909 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -111.97 -53.02 2.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.984 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 p -109.71 -2.39 17.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.8 mp 60.18 26.49 15.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.168 1.787 . . . . 0.0 115.043 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -77.57 140.8 39.75 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.173 1.789 . . . . 0.0 112.336 170.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -95.88 149.47 21.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 113.495 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.01 154.05 45.83 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.398 2.279 . . . . 0.0 112.923 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.93 -30.23 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.088 1.355 . . . . 0.0 113.613 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -142.5 161.64 37.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.469 1.108 . . . . 0.0 112.38 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.5 p -68.05 -19.49 64.89 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 172.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.57 -45.33 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.903 -1.123 . . . . 0.0 109.923 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -62.09 -36.23 81.09 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.485 0.584 . . . . 0.0 111.497 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 tp -65.09 -50.14 67.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.658 1.183 . . . . 0.0 111.468 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -54.54 -47.92 72.63 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.422 1.01 . . . . 0.0 112.101 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.2 m -73.71 -33.0 64.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.098 0.959 . . . . 0.0 113.286 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -52.65 -46.48 67.16 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.096 0.862 . . . . 0.0 111.695 172.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.71 -37.58 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 122.725 0.41 . . . . 0.0 110.485 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -74.49 -35.22 63.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.123 -0.986 . . . . 0.0 112.058 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.45 -37.6 71.37 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.09 0.956 . . . . 0.0 113.219 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 m -121.43 -28.26 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -100.6 -10.75 20.66 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.265 0.626 . . . . 0.0 112.384 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.145 0 C-N-CA 125.619 1.581 . . . . 0.0 116.612 170.907 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 119.281 -0.39 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.73 139.93 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 119.295 0.952 . . . . 0.0 112.943 -171.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.14 121.75 13.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.059 1.744 . . . . 0.0 111.942 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.45 43.54 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -105.31 -50.85 3.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.178 1.391 . . . . 0.0 111.737 -174.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.24 2.5 14.83 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.23 29.72 19.25 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.105 1.762 . . . . 0.0 114.723 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.43 140.71 29.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.703 2.001 . . . . 0.0 112.196 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -92.88 147.3 22.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.744 1.217 . . . . 0.0 113.321 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.972 2.109 . . . . 0.0 112.551 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.85 -27.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.906 1.682 . . . . 0.0 114.176 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 t -147.98 151.49 35.86 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.44 1.496 . . . . 0.0 110.812 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 p -64.43 -22.9 67.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.119 0.567 . . . . 0.0 112.09 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mm -69.64 -39.7 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 120.864 -1.147 . . . . 0.0 111.326 171.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.99 -31.53 63.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.0 0.92 . . . . 0.0 111.645 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 tp -63.94 -49.4 72.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.039 0.936 . . . . 0.0 110.503 168.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -54.22 -52.14 62.23 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.111 0.869 . . . . 0.0 111.134 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m -63.21 -40.38 97.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.872 1.269 . . . . 0.0 112.426 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -52.81 -46.87 67.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.157 0.983 . . . . 0.0 111.785 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.7 -39.7 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.429 0.292 . . . . 0.0 110.214 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -70.09 -39.35 75.63 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.417 -0.802 . . . . 0.0 111.907 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.15 -40.66 86.71 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.455 1.102 . . . . 0.0 113.102 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -122.06 -27.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.27 -11.92 19.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.045 0.538 . . . . 0.0 112.137 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.327 0 C-N-CA 125.315 1.436 . . . . 0.0 116.382 171.311 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.47 0.55 0 CA-C-O 119.402 -0.333 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 t -118.7 137.24 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.799 0.727 . . . . 0.0 112.652 -170.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.1 122.46 16.64 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.497 1.519 . . . . 0.0 111.681 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.89 -6.96 45.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -103.25 -50.78 3.39 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.26 1.424 . . . . 0.0 111.55 -174.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.27 2.46 14.79 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.71 27.55 17.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.172 1.789 . . . . 0.0 114.822 172.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -93.51 139.3 30.89 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.571 1.948 . . . . 0.0 112.376 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -92.2 144.87 24.98 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.927 1.291 . . . . 0.0 113.154 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.48 153.27 51.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.314 2.246 . . . . 0.0 112.28 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.55 -23.63 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 125.384 1.474 . . . . 0.0 114.217 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 t -150.18 153.5 36.39 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.196 1.398 . . . . 0.0 111.578 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -60.49 -31.93 70.95 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.013 0.925 . . . . 0.0 112.008 172.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.4 mm -68.97 -40.7 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.053 0.941 . . . . 0.0 111.308 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -65.55 -39.4 91.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.29 1.036 . . . . 0.0 111.101 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -64.84 -48.44 74.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.231 1.013 . . . . 0.0 111.513 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -57.6 -48.87 78.21 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.403 -0.81 . . . . 0.0 111.133 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 t -58.44 -41.68 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.99 0.916 . . . . 0.0 112.352 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -56.57 -46.16 80.91 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.596 -0.69 . . . . 0.0 111.743 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.38 -41.0 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 118.12 0.418 . . . . 0.0 110.349 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -69.4 -39.18 78.11 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.947 0.794 . . . . 0.0 112.299 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.2 -38.74 72.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.985 0.914 . . . . 0.0 113.413 -175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.77 -29.88 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -173.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -99.05 -13.92 19.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.573 0.624 . . . . 0.0 112.04 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 C-N-CA 125.327 1.441 . . . . 0.0 115.768 173.323 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 111.354 0.131 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.16 141.38 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.92 0.888 . . . . 0.0 111.346 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.4 t -58.95 136.01 57.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.619 1.567 . . . . 0.0 112.226 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.81 -6.54 59.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.805 0.842 . . . . 0.0 112.729 175.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -110.24 -53.11 2.72 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.873 1.269 . . . . 0.0 111.849 -172.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 p -109.74 -3.2 16.9 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.281 9.6 mp 60.32 26.38 15.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.158 1.783 . . . . 0.0 115.0 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -77.22 141.15 40.19 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.202 1.801 . . . . 0.0 112.343 169.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -95.84 148.55 22.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.288 1.435 . . . . 0.0 113.724 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -141.25 154.65 45.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.166 2.186 . . . . 0.0 113.141 -173.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.58 -27.75 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.596 1.559 . . . . 0.0 113.474 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -148.78 151.66 35.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.164 1.386 . . . . 0.0 111.521 -174.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.7 p -60.09 -29.07 68.33 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.049 0.94 . . . . 0.0 112.238 172.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.2 mm -67.28 -44.0 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.933 0.893 . . . . 0.0 111.26 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.9 mmm-85 -62.43 -40.25 95.96 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.892 0.877 . . . . 0.0 110.988 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.7 tp -67.5 -45.75 74.93 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.258 1.023 . . . . 0.0 111.844 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -55.0 -52.55 62.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.163 0.892 . . . . 0.0 111.123 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 m -63.43 -35.73 81.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.917 0.887 . . . . 0.0 112.881 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -57.64 -45.71 85.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.319 0.963 . . . . 0.0 111.733 169.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.63 -41.0 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 118.919 0.781 . . . . 0.0 110.358 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -68.85 -39.58 79.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.153 0.888 . . . . 0.0 112.679 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -79.24 -34.38 42.76 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.21 -32.98 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.284 1.033 . . . . 0.0 113.081 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -109.13 -15.89 14.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 C-N-CA 124.784 1.183 . . . . 0.0 115.519 172.36 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t -133.49 141.08 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.604 1.093 . . . . 0.0 112.315 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 t -58.81 136.39 57.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.276 1.43 . . . . 0.0 111.429 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.74 -8.49 58.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.646 0.779 . . . . 0.0 112.482 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -52.21 2.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.638 0.775 . . . . 0.0 111.867 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -109.37 0.2 19.33 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt 61.58 20.42 11.24 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.269 1.828 . . . . 0.0 115.889 173.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -74.6 142.13 44.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.749 1.62 . . . . 0.0 112.641 172.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -88.79 152.13 21.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.167 1.387 . . . . 0.0 113.993 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.85 153.86 45.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 128.154 2.582 . . . . 0.0 112.538 -175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.85 -26.41 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.683 1.593 . . . . 0.0 113.679 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -149.27 151.76 34.75 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.122 1.369 . . . . 0.0 111.842 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 p -60.3 -30.47 69.5 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.233 1.013 . . . . 0.0 112.389 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.4 mm -68.72 -42.13 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.246 -0.909 . . . . 0.0 111.145 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -63.59 -40.68 97.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.363 1.065 . . . . 0.0 110.928 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -64.12 -48.67 75.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.276 1.43 . . . . 0.0 111.749 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -56.73 -53.48 57.24 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.404 -0.81 . . . . 0.0 111.117 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.8 m -65.41 -34.36 78.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.892 0.877 . . . . 0.0 113.109 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -54.1 -46.36 72.08 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.299 0.954 . . . . 0.0 111.516 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.02 -41.63 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 118.595 0.634 . . . . 0.0 110.297 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -67.76 -38.19 83.12 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.319 -0.863 . . . . 0.0 112.941 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.9 -30.78 16.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 t -101.28 -36.45 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.37 1.068 . . . . 0.0 112.737 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -106.18 -15.68 14.8 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 N-CA-C 116.282 1.273 . . . . 0.0 116.282 172.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -126.54 140.46 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.463 1.029 . . . . 0.0 112.995 -169.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.2 t -59.24 133.47 56.12 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.823 1.649 . . . . 0.0 112.184 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.47 -5.16 57.66 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.677 0.791 . . . . 0.0 112.695 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.98 -52.31 2.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.014 1.326 . . . . 0.0 111.855 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.88 -1.14 16.6 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.276 9.5 mp 59.83 28.15 17.59 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.063 1.745 . . . . 0.0 115.108 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -84.7 141.28 30.69 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.566 1.947 . . . . 0.0 112.436 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -92.8 146.26 23.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.129 1.372 . . . . 0.0 113.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -135.81 156.36 48.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.931 2.492 . . . . 0.0 112.229 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.5 -28.42 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.034 1.334 . . . . 0.0 113.613 -178.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -145.68 162.8 36.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.098 0.959 . . . . 0.0 112.802 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -61.35 -29.82 70.13 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.987 0.915 . . . . 0.0 112.5 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mm -70.9 -44.18 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.256 1.022 . . . . 0.0 111.184 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -66.02 -35.91 81.83 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.715 0.689 . . . . 0.0 111.461 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.99 -50.89 68.97 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.554 1.142 . . . . 0.0 111.246 171.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -58.4 -49.21 78.1 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.291 -0.881 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -59.77 -40.45 88.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.036 0.934 . . . . 0.0 112.344 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.26 -47.04 76.05 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.594 -0.691 . . . . 0.0 111.737 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -61.82 -38.77 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 122.173 -0.329 . . . . 0.0 110.442 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.0 -38.25 69.68 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.247 -0.908 . . . . 0.0 112.391 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.59 -37.79 73.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.922 0.889 . . . . 0.0 113.359 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.67 -29.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -98.86 -13.55 20.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.613 0.642 . . . . 0.0 112.317 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.226 0 C-N-CA 125.436 1.493 . . . . 0.0 115.608 173.349 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 119.252 -0.404 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.58 140.58 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.124 0.875 . . . . 0.0 112.248 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 t -60.69 133.4 56.06 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.654 1.582 . . . . 0.0 112.156 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -5.55 56.26 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.722 0.809 . . . . 0.0 112.77 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.64 -53.04 2.74 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.98 1.312 . . . . 0.0 111.916 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -108.81 -2.0 18.83 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.275 9.6 mp 59.57 27.43 16.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.101 1.76 . . . . 0.0 114.839 173.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -82.97 141.05 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.796 2.038 . . . . 0.0 112.197 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -93.57 147.18 23.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.102 1.361 . . . . 0.0 113.379 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.25 153.39 51.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.097 2.159 . . . . 0.0 113.043 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.6 -32.16 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.875 1.67 . . . . 0.0 113.245 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -144.34 160.55 40.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.166 0.987 . . . . 0.0 112.499 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 p -61.64 -28.98 69.76 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.628 0.771 . . . . 0.0 112.348 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -44.5 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.944 0.898 . . . . 0.0 110.69 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -62.92 -38.14 89.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.878 0.763 . . . . 0.0 111.061 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.44 -47.91 74.56 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.561 1.145 . . . . 0.0 111.581 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -55.82 -54.29 46.27 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.116 0.871 . . . . 0.0 110.948 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 m -61.29 -35.49 77.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.1 0.96 . . . . 0.0 113.15 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -58.09 -45.33 87.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.115 0.871 . . . . 0.0 111.932 170.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.26 -40.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.989 0.813 . . . . 0.0 110.459 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -67.89 -40.8 83.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.951 0.796 . . . . 0.0 112.318 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.74 -38.74 53.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.839 1.656 . . . . 0.0 113.372 -176.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -106.11 -34.5 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.354 1.061 . . . . 0.0 112.947 -170.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.01 -16.41 14.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.327 0 C-N-CA 124.627 1.108 . . . . 0.0 115.303 174.286 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.9 t -132.69 139.63 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 120.017 1.28 . . . . 0.0 112.58 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 t -60.11 126.94 29.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.554 1.942 . . . . 0.0 111.91 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.47 -5.64 56.91 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.336 -0.853 . . . . 0.0 112.631 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -48.99 4.3 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.037 1.735 . . . . 0.0 110.651 -173.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.1 p -123.96 -1.17 8.35 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.302 9.0 mp 62.11 27.17 16.38 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.938 1.695 . . . . 0.0 115.348 174.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -81.48 140.92 34.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.776 2.03 . . . . 0.0 112.477 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -93.13 146.98 23.26 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.178 1.391 . . . . 0.0 113.377 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.84 152.14 49.93 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.519 2.328 . . . . 0.0 113.042 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.99 -25.7 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.984 1.714 . . . . 0.0 113.774 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t -147.48 150.33 34.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.696 -175.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.9 p -61.15 -30.3 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.001 0.92 . . . . 0.0 112.432 172.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.84 -44.74 88.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.349 0.977 . . . . 0.0 110.425 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -38.88 91.65 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.916 0.886 . . . . 0.0 111.221 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -64.56 -51.72 61.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.583 1.153 . . . . 0.0 111.558 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -57.06 -44.35 82.94 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.212 -0.93 . . . . 0.0 112.172 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 m -76.61 -31.13 57.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.303 1.041 . . . . 0.0 113.433 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -55.0 -42.31 72.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.248 0.931 . . . . 0.0 111.527 171.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.59 -36.07 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.74 -0.6 . . . . 0.0 110.987 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -75.62 -35.45 60.49 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 111.826 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.7 -35.01 45.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.235 1.014 . . . . 0.0 113.246 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.83 -34.37 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.181 0.992 . . . . 0.0 113.204 -170.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -113.4 -9.07 13.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.208 1.003 . . . . 0.0 113.604 -176.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.145 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 169.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 119.124 -0.465 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -125.96 137.78 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.46 1.027 . . . . 0.0 112.596 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 t -64.77 114.02 4.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.625 1.97 . . . . 0.0 111.753 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.46 -8.92 21.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.74 -52.23 4.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.837 2.055 . . . . 0.0 111.069 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -123.14 -1.49 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -173.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.267 53.2 mt 60.97 27.25 17.13 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.998 2.119 . . . . 0.0 115.748 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -86.34 140.2 30.27 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.266 1.827 . . . . 0.0 112.46 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.71 145.73 24.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.087 1.355 . . . . 0.0 113.277 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.5 154.05 51.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.457 2.303 . . . . 0.0 112.77 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.93 -25.45 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 113.886 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -151.32 153.57 35.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.277 1.431 . . . . 0.0 111.494 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.9 p -60.85 -33.11 72.56 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.054 0.941 . . . . 0.0 112.264 173.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.02 -44.23 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.959 0.904 . . . . 0.0 110.644 175.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -65.94 -35.65 81.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.516 1.126 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.45 -49.24 61.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.481 1.112 . . . . 0.0 112.135 170.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.2 -52.44 61.22 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.27 0.941 . . . . 0.0 111.528 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.6 m -64.89 -32.64 74.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.014 0.926 . . . . 0.0 113.24 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.37 -41.65 94.19 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.017 0.826 . . . . 0.0 111.814 170.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.83 -41.41 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 119.368 0.985 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 -65.88 -41.37 91.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.629 -0.669 . . . . 0.0 112.179 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -78.44 -38.25 41.69 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 113.284 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -105.82 -34.42 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.227 1.011 . . . . 0.0 112.969 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -107.4 -15.49 14.61 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.332 0 C-N-CA 124.296 0.951 . . . . 0.0 114.895 174.018 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.716 -0.183 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 t -133.49 139.29 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.869 0.867 . . . . 0.0 111.673 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.0 t -65.09 118.38 9.08 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.083 1.753 . . . . 0.0 111.631 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.18 -7.55 42.7 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.33 -52.14 4.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.569 1.948 . . . . 0.0 110.716 -174.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -122.61 -0.93 9.09 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -174.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.278 3.1 mm? 63.04 21.06 12.68 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.663 1.985 . . . . 0.0 115.466 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -75.11 142.44 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -88.49 150.68 22.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.975 1.31 . . . . 0.0 114.044 175.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -141.01 154.53 46.05 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.898 2.479 . . . . 0.0 112.632 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -72.23 -35.21 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.74 1.216 . . . . 0.0 113.207 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -141.39 161.76 37.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.449 1.1 . . . . 0.0 112.738 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 p -61.39 -32.99 72.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.637 0.775 . . . . 0.0 112.111 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.67 -46.76 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.99 0.916 . . . . 0.0 111.392 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -62.96 -35.88 81.62 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.416 0.553 . . . . 0.0 111.419 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.38 -47.32 61.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.307 1.043 . . . . 0.0 112.535 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -54.59 -50.84 67.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.117 -0.99 . . . . 0.0 111.849 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -70.7 -31.4 68.26 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.932 0.893 . . . . 0.0 112.962 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -58.3 -43.06 87.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.47 1.032 . . . . 0.0 111.123 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.83 -38.62 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.778 0.717 . . . . 0.0 110.463 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -71.15 -39.13 72.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.372 -0.83 . . . . 0.0 112.77 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.84 -34.48 51.86 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -108.96 -33.82 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.238 1.015 . . . . 0.0 113.208 -169.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -111.18 -12.23 14.15 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.304 0 C-N-CA 124.914 1.245 . . . . 0.0 115.931 171.639 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.066 -0.492 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.57 139.13 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.497 1.044 . . . . 0.0 111.994 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.74 135.94 57.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.618 1.567 . . . . 0.0 111.804 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 -6.87 59.51 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.795 0.838 . . . . 0.0 112.639 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.75 -54.47 2.55 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.843 1.257 . . . . 0.0 111.863 -171.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.8 p -106.3 -1.19 23.7 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 mt 61.17 22.27 12.6 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.194 1.798 . . . . 0.0 115.448 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -78.3 141.27 38.61 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.007 1.723 . . . . 0.0 112.97 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.45 150.24 23.9 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.265 1.426 . . . . 0.0 113.901 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -139.95 154.73 47.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.38 2.672 . . . . 0.0 112.385 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.91 -30.25 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.356 1.463 . . . . 0.0 113.555 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -147.12 151.1 36.27 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.132 1.373 . . . . 0.0 111.58 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.1 p -59.04 -31.9 69.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.007 0.923 . . . . 0.0 112.15 172.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.04 -43.38 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.854 0.862 . . . . 0.0 111.365 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -62.56 -40.66 97.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.266 1.027 . . . . 0.0 110.915 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.8 tp -66.3 -48.22 71.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.314 1.045 . . . . 0.0 111.739 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -58.04 -45.94 86.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.143 -0.973 . . . . 0.0 111.494 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 t -67.21 -35.61 79.96 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.889 0.876 . . . . 0.0 112.726 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -56.83 -45.99 81.98 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.373 -0.829 . . . . 0.0 111.586 170.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.86 -33.45 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 110.399 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -77.25 -34.5 55.79 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.851 -1.156 . . . . 0.0 113.404 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -74.37 -33.81 63.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.921 1.688 . . . . 0.0 113.628 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 p -131.3 -25.23 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.75 -12.95 21.7 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.335 0 C-N-CA 125.616 1.579 . . . . 0.0 116.356 174.918 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -72.51 158.84 34.96 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.755 0.822 . . . . 0.0 112.573 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -79.75 126.79 31.4 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.141 0.976 . . . . 0.0 111.116 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.23 -159.2 37.43 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 123.912 0.768 . . . . 0.0 113.561 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t 60.18 177.29 0.09 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.847 1.659 . . . . 0.0 115.152 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -124.0 11.78 8.95 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.015 2.126 . . . . 0.0 112.14 172.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.82 178.99 45.48 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.774 1.178 . . . . 0.0 114.009 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -119.26 149.66 41.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.559 1.944 . . . . 0.0 110.795 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.08 140.23 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.105 0.866 . . . . 0.0 112.687 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.23 135.35 57.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.916 1.686 . . . . 0.0 111.695 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -5.99 59.15 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.829 0.852 . . . . 0.0 112.745 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.88 -54.35 2.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.846 1.258 . . . . 0.0 111.87 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 p -106.86 -0.28 23.41 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 mt 60.63 23.21 13.01 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.18 1.792 . . . . 0.0 115.49 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -80.91 141.03 34.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.546 1.938 . . . . 0.0 112.556 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -96.83 148.59 22.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.925 1.29 . . . . 0.0 113.459 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -138.89 153.1 48.25 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.317 2.247 . . . . 0.0 112.028 -173.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.27 -23.62 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.404 1.082 . . . . 0.0 113.701 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.03 162.23 39.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.204 1.001 . . . . 0.0 112.979 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 p -64.58 -32.67 74.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.463 172.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.1 mm -66.43 -45.86 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.199 0.909 . . . . 0.0 110.732 172.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.9 -34.0 76.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.909 0.484 . . . . 0.0 111.598 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.52 -53.68 26.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.28 1.032 . . . . 0.0 111.818 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -55.12 -46.7 75.6 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.277 -0.89 . . . . 0.0 112.167 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.7 m -71.74 -34.48 69.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.379 1.072 . . . . 0.0 113.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.07 -45.39 68.11 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.538 1.063 . . . . 0.0 111.712 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.08 -37.58 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 122.744 0.418 . . . . 0.0 110.393 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -75.29 -35.15 61.33 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.337 -0.852 . . . . 0.0 111.898 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.39 -39.27 81.75 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.039 0.936 . . . . 0.0 112.895 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.88 -27.37 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -170.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -101.09 -12.06 19.12 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.26 0.624 . . . . 0.0 112.164 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.95 26.34 70.09 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.706 1.622 . . . . 0.0 116.24 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.98 100.23 2.43 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.717 1.258 . . . . 0.0 111.916 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.3 -150.39 0.28 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.298 1.439 . . . . 0.0 111.2 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 127.21 2.204 . . . . 0.0 111.56 -178.214 . . . . . . . . 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 1.563 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -80.99 -14.39 57.99 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -68.26 140.13 56.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.611 1.165 . . . . 0.0 113.196 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.55 169.9 54.88 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.433 1.016 . . . . 0.0 113.701 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -150.38 150.04 30.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.853 1.261 . . . . 0.0 111.92 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -154.38 152.51 30.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.973 1.709 . . . . 0.0 110.667 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.97 -166.31 46.48 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.282 0.944 . . . . 0.0 113.59 -171.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -128.77 150.51 50.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.007 1.323 . . . . 0.0 111.426 -171.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.01 139.85 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.169 0.988 . . . . 0.0 111.226 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -62.85 124.82 22.04 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.172 1.389 . . . . 0.0 111.872 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.83 -6.14 39.43 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.0 -54.61 2.51 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.137 1.375 . . . . 0.0 111.889 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -107.15 -0.77 22.54 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.253 3.4 mm? 60.51 20.6 10.36 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.207 1.803 . . . . 0.0 115.056 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -72.42 141.0 48.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.064 1.345 . . . . 0.0 112.091 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -89.77 151.99 21.53 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.314 1.446 . . . . 0.0 113.826 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -141.75 153.26 44.48 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 127.466 2.306 . . . . 0.0 112.932 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.88 -30.82 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.453 1.501 . . . . 0.0 113.42 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 t -147.97 153.03 38.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.871 1.268 . . . . 0.0 111.307 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -62.02 -30.38 70.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.932 0.893 . . . . 0.0 112.575 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.04 -41.99 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 119.4 1.0 . . . . 0.0 110.775 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -60.29 -41.99 94.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 111.048 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 tp -69.99 -46.9 64.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.832 1.253 . . . . 0.0 112.276 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -55.64 -43.77 76.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.085 0.954 . . . . 0.0 111.984 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -77.77 -32.14 52.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.334 1.054 . . . . 0.0 113.387 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -55.18 -43.42 74.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.348 0.976 . . . . 0.0 111.77 171.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.47 -37.37 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 121.742 -0.599 . . . . 0.0 110.491 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -74.2 -35.9 63.97 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.109 -0.994 . . . . 0.0 111.901 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.93 -33.98 44.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.304 1.042 . . . . 0.0 113.435 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -109.54 -33.46 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.202 1.001 . . . . 0.0 113.111 -170.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -113.38 -10.91 13.22 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.1 27.37 70.38 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.249 1.404 . . . . 0.0 116.443 171.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.09 57.46 1.39 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.071 1.436 . . . . 0.0 113.554 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.33 17.09 4.05 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.324 2.25 . . . . 0.0 112.895 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 126.193 1.797 . . . . 0.0 112.984 -175.462 . . . . . . . . 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 1.478 1.497 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -57.83 134.27 56.15 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.528 1.131 . . . . 0.0 112.517 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m 56.62 18.05 3.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.05 168.09 54.35 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.56 1.076 . . . . 0.0 113.903 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -145.42 156.92 44.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.041 1.337 . . . . 0.0 112.745 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 p -111.56 7.25 20.53 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.849 1.66 . . . . 0.0 114.242 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.35 -179.6 45.07 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.437 1.494 . . . . 0.0 112.703 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -97.68 146.39 25.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.996 1.318 . . . . 0.0 110.44 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -133.85 138.98 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.467 -0.77 . . . . 0.0 111.651 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 t -58.98 135.08 57.5 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.485 1.514 . . . . 0.0 111.522 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -6.7 59.52 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.796 0.838 . . . . 0.0 112.602 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -108.55 -53.28 2.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.922 1.289 . . . . 0.0 111.728 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.98 -0.26 19.68 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.0 mt 61.23 21.98 12.37 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 126.004 1.722 . . . . 0.0 115.447 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.24 140.44 38.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.286 1.834 . . . . 0.0 112.594 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -95.14 149.27 21.47 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.312 1.445 . . . . 0.0 113.63 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -141.75 152.98 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.609 2.364 . . . . 0.0 112.452 -173.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.39 -33.62 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.809 1.243 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -144.31 157.73 44.12 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.142 1.377 . . . . 0.0 111.927 -173.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -59.58 -39.88 85.55 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.183 0.993 . . . . 0.0 112.861 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.54 -41.89 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.36 1.064 . . . . 0.0 111.761 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -61.78 -41.4 97.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.521 1.128 . . . . 0.0 110.861 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.88 -48.4 63.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.269 1.028 . . . . 0.0 112.09 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -54.62 -50.34 68.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.832 0.853 . . . . 0.0 111.323 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.5 m -67.1 -36.3 81.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.778 0.831 . . . . 0.0 112.92 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -54.26 -46.5 72.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.666 1.121 . . . . 0.0 111.684 170.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.03 -40.76 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 122.024 -0.422 . . . . 0.0 110.254 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -70.1 -38.77 75.72 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.415 -0.803 . . . . 0.0 112.413 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -67.4 -41.76 84.43 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.25 1.02 . . . . 0.0 113.142 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.16 -27.61 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -100.33 -14.28 18.45 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.369 0.532 . . . . 0.0 112.009 176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.03 31.29 61.41 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.29 1.424 . . . . 0.0 115.518 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.67 71.42 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -169.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.5 135.5 9.83 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.715 1.606 . . . . 0.0 109.952 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 125.884 1.674 . . . . 0.0 112.588 176.872 . . . . . . . . 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 1.481 1.654 0 N-CA-C 112.151 -0.38 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -149.75 149.03 29.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.111 1.365 . . . . 0.0 111.949 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -80.64 -14.5 58.11 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.675 1.19 . . . . 0.0 113.378 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.02 80.55 0.03 OUTLIER Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.469 1.033 . . . . 0.0 112.726 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -66.87 121.94 16.59 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.464 0.706 . . . . 0.0 111.309 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m 56.85 17.05 3.04 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.17 154.23 8.15 Favored Glycine 0 CA--C 1.533 1.186 0 O-C-N 121.082 -1.011 . . . . 0.0 113.976 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -83.34 143.77 30.13 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.579 1.552 . . . . 0.0 110.543 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.91 138.88 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.39 0.995 . . . . 0.0 113.014 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -58.21 135.6 57.13 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.795 1.638 . . . . 0.0 111.65 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.62 -6.12 59.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.836 0.854 . . . . 0.0 112.742 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.12 -53.96 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.836 1.255 . . . . 0.0 111.817 -171.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.54 0.15 22.49 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 mt 60.83 23.46 13.46 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 115.536 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -81.65 140.93 34.1 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.438 1.895 . . . . 0.0 112.666 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -95.61 146.54 24.4 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.413 1.485 . . . . 0.0 113.279 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -136.1 153.78 51.2 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.187 2.195 . . . . 0.0 112.899 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.51 -26.56 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.543 1.537 . . . . 0.0 113.888 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -148.85 152.91 37.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.566 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 p -59.52 -30.28 68.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.997 0.919 . . . . 0.0 112.142 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mm -66.97 -42.98 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.971 0.908 . . . . 0.0 111.434 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mmm-85 -63.79 -39.44 94.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 111.248 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.09 -50.73 67.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.719 1.208 . . . . 0.0 111.316 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -58.69 -43.9 90.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.415 -0.803 . . . . 0.0 111.878 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -70.7 -37.87 73.63 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.993 0.917 . . . . 0.0 112.988 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -52.61 -45.53 66.62 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.905 0.882 . . . . 0.0 111.907 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.26 -36.52 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 122.758 0.423 . . . . 0.0 110.487 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -75.04 -36.56 61.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.143 -0.973 . . . . 0.0 111.592 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.94 -36.8 72.76 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.275 1.03 . . . . 0.0 113.156 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.76 -28.65 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -174.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -100.36 -11.68 20.07 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.643 0.656 . . . . 0.0 112.42 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 64.28 26.99 70.97 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.741 1.638 . . . . 0.0 116.48 172.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.26 94.92 2.56 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.916 1.358 . . . . 0.0 112.103 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.48 125.89 8.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.628 1.571 . . . . 0.0 110.14 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 . . . . . 0 C--O 1.255 1.37 0 C-N-CA 125.976 1.71 . . . . 0.0 112.353 179.421 . . . . . . . . 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 1.48 1.623 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -67.44 146.56 53.88 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.367 1.067 . . . . 0.0 112.963 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 p -79.88 152.57 29.57 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.729 1.212 . . . . 0.0 113.128 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.56 173.98 53.0 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.449 1.024 . . . . 0.0 113.824 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -79.05 44.47 0.57 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.743 1.617 . . . . 0.0 112.888 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -73.75 153.55 39.97 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.692 1.597 . . . . 0.0 113.96 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.27 170.15 43.15 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.344 1.45 . . . . 0.0 115.049 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -121.16 143.85 48.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.33 1.852 . . . . 0.0 110.126 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -123.41 137.67 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 119.17 0.895 . . . . 0.0 112.49 -171.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.63 123.34 18.59 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.424 1.49 . . . . 0.0 111.685 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.0 -6.22 40.57 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.37 -52.9 2.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.237 1.415 . . . . 0.0 111.793 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -109.98 0.73 18.65 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.254 3.3 mm? 61.16 21.88 12.25 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.196 1.798 . . . . 0.0 115.129 174.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -80.13 139.46 36.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.674 1.589 . . . . 0.0 112.42 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -88.04 150.73 23.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.773 1.229 . . . . 0.0 113.616 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -136.14 155.13 50.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.465 2.706 . . . . 0.0 111.83 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.46 -29.94 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.119 1.368 . . . . 0.0 113.465 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 t -147.88 152.98 38.51 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.104 1.362 . . . . 0.0 111.425 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 t -55.64 -34.7 65.17 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.325 1.05 . . . . 0.0 111.563 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.08 -39.83 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.021 -1.049 . . . . 0.0 111.206 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -62.84 -40.45 97.48 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.237 0.615 . . . . 0.0 111.135 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.92 -45.37 78.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.412 1.085 . . . . 0.0 111.978 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -54.3 -52.88 60.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 111.091 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -68.22 -34.03 75.5 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.65 0.78 . . . . 0.0 112.969 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -55.09 -44.89 75.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.557 1.071 . . . . 0.0 111.588 169.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.27 -41.22 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.794 0.725 . . . . 0.0 110.282 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -69.0 -39.11 79.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.407 -0.808 . . . . 0.0 112.566 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.34 -35.6 47.33 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.58 -27.95 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.109 0.964 . . . . 0.0 113.538 -167.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -112.83 -15.19 12.97 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.31 25.31 73.63 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 115.766 173.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 130.24 42.62 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.471 1.135 . . . . 0.0 111.67 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.79 11.04 32.86 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.165 1.786 . . . . 0.0 114.289 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.719 1.608 . . . . 0.0 113.458 -175.377 . . . . . . . . 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 1.479 1.543 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -136.19 152.98 51.36 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.211 1.404 . . . . 0.0 112.002 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -148.36 161.83 40.77 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.198 1.399 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.35 -164.01 50.85 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.338 0.97 . . . . 0.0 114.5 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -97.88 11.68 36.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.96 1.704 . . . . 0.0 114.317 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 m -64.05 147.11 52.92 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.024 1.329 . . . . 0.0 113.795 -175.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.97 174.15 44.91 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.35 1.452 . . . . 0.0 112.584 177.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -84.49 144.51 28.66 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.257 1.023 . . . . 0.0 109.866 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.15 139.75 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.579 1.082 . . . . 0.0 112.466 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.53 134.22 56.86 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.806 1.642 . . . . 0.0 112.365 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.62 -6.16 57.91 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.698 0.799 . . . . 0.0 112.769 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.2 -52.83 2.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.995 1.318 . . . . 0.0 111.876 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.9 -2.8 16.97 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.2 mp 59.74 27.5 16.78 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.09 1.756 . . . . 0.0 115.025 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -79.86 142.06 35.57 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.691 1.997 . . . . 0.0 112.268 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -96.56 146.9 24.4 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.425 1.49 . . . . 0.0 113.499 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -138.18 152.51 48.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.179 2.192 . . . . 0.0 113.197 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.69 -30.88 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.212 1.805 . . . . 0.0 113.608 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -148.77 152.67 36.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.837 1.255 . . . . 0.0 111.436 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 p -57.83 -29.73 65.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.396 1.078 . . . . 0.0 112.56 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.53 -43.91 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.92 0.888 . . . . 0.0 111.595 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -64.63 -40.15 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.994 0.918 . . . . 0.0 110.779 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.41 -48.25 76.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.588 1.155 . . . . 0.0 111.344 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -58.05 -50.44 73.43 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.443 -0.786 . . . . 0.0 111.015 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -63.65 -36.56 84.23 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.474 0.71 . . . . 0.0 112.74 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.98 -44.85 78.93 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.387 -0.82 . . . . 0.0 111.727 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.61 -42.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.921 0.782 . . . . 0.0 110.274 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -66.49 -40.46 89.31 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.594 -0.691 . . . . 0.0 112.584 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -79.77 -34.75 39.51 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -107.72 -32.87 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.166 0.986 . . . . 0.0 113.02 -169.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -109.63 -15.48 14.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.72 24.11 74.05 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 116.009 1.164 . . . . 0.0 116.009 172.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 123.91 20.87 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.54 1.17 . . . . 0.0 110.257 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.43 6.28 42.43 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -173.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.542 1.537 . . . . 0.0 113.228 -176.168 . . . . . . . . 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 1.48 1.59 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -80.0 -15.42 57.28 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -147.63 170.29 17.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.191 1.796 . . . . 0.0 111.185 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.09 151.45 22.36 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.481 1.039 . . . . 0.0 114.037 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -69.7 168.23 15.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.012 1.725 . . . . 0.0 113.879 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m 63.12 170.37 0.15 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.604 1.962 . . . . 0.0 114.706 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.08 177.71 50.09 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.423 1.011 . . . . 0.0 113.636 -171.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -132.72 147.87 52.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.267 1.427 . . . . 0.0 110.816 -170.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.3 t -128.37 139.2 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.101 0.864 . . . . 0.0 112.079 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.18 121.38 14.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.491 1.516 . . . . 0.0 111.7 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -6.58 41.6 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.58 -51.24 3.24 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.229 1.411 . . . . 0.0 111.599 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.48 0.69 14.79 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.256 3.3 mm? 61.4 22.12 12.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.328 1.851 . . . . 0.0 115.027 175.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -79.73 139.2 37.4 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.984 1.714 . . . . 0.0 112.268 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -95.56 148.09 22.87 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.864 1.266 . . . . 0.0 113.328 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.64 154.05 49.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.319 2.248 . . . . 0.0 112.628 -174.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.82 -28.51 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.84 1.656 . . . . 0.0 113.671 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 t -150.28 151.17 32.55 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.278 1.431 . . . . 0.0 111.372 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -60.69 -30.28 69.84 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.136 0.974 . . . . 0.0 112.318 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.36 -46.65 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.431 1.014 . . . . 0.0 110.505 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.89 -37.23 86.65 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.608 0.763 . . . . 0.0 111.182 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.2 -46.94 72.39 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.87 0.868 . . . . 0.0 112.024 173.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -56.87 -50.16 73.32 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.203 -0.935 . . . . 0.0 111.147 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.5 m -67.27 -35.39 79.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.319 1.048 . . . . 0.0 112.821 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -55.09 -46.41 75.49 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.201 0.909 . . . . 0.0 111.19 169.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.21 -40.85 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.691 -0.631 . . . . 0.0 110.379 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -68.77 -38.87 80.33 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.02 0.827 . . . . 0.0 112.945 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.49 -29.75 21.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.5 -37.49 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.22 1.008 . . . . 0.0 112.907 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -108.13 -14.65 14.68 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.27 30.31 77.13 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.652 1.12 . . . . 0.0 115.694 173.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.47 -24.35 66.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.18 150.79 22.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.482 1.913 . . . . 0.0 109.353 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.568 2.347 . . . . 0.0 111.5 -179.9 . . . . . . . . 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 1.632 0 N-CA-C 111.991 -0.444 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -69.65 150.84 46.58 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.388 1.075 . . . . 0.0 113.32 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 m -77.25 143.76 38.69 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.372 1.069 . . . . 0.0 112.258 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.7 11.6 77.61 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -64.74 149.01 50.01 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.851 1.326 . . . . 0.0 113.159 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -76.58 157.55 31.89 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.366 1.066 . . . . 0.0 113.625 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.9 168.21 41.35 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.849 1.69 . . . . 0.0 112.148 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -125.42 147.74 49.07 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.147 1.379 . . . . 0.0 111.089 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.18 139.35 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.768 0.827 . . . . 0.0 111.448 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.21 123.49 18.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.566 1.546 . . . . 0.0 111.9 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -6.97 45.03 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.41 -52.38 2.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.245 1.418 . . . . 0.0 111.761 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.0 p -111.88 1.07 16.34 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.255 3.3 mm? 60.35 24.36 13.86 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.085 1.754 . . . . 0.0 114.918 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -83.28 139.92 32.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.537 1.935 . . . . 0.0 112.232 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -95.44 147.98 22.96 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.962 1.305 . . . . 0.0 113.666 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.83 153.65 45.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.417 2.287 . . . . 0.0 112.354 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.34 -37.89 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.95 1.3 . . . . 0.0 113.327 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.3 m -145.32 157.29 44.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.231 1.413 . . . . 0.0 111.317 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -56.39 -37.56 70.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.466 1.107 . . . . 0.0 113.201 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -59.74 -44.97 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.301 1.041 . . . . 0.0 112.004 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.201 0.6 . . . . 0.0 111.105 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.9 -48.55 68.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.537 0.735 . . . . 0.0 111.674 171.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -56.09 -53.02 62.01 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.458 1.026 . . . . 0.0 111.303 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.3 m -59.82 -35.95 75.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.766 0.826 . . . . 0.0 113.149 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -58.85 -45.3 90.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.569 1.077 . . . . 0.0 111.821 169.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.84 -42.15 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.998 0.817 . . . . 0.0 110.347 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -64.79 -42.72 94.83 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.992 0.815 . . . . 0.0 112.735 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.77 -34.19 52.4 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 t -108.13 -33.12 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.923 0.889 . . . . 0.0 113.118 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -110.94 -13.99 14.03 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.44 36.42 92.58 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.252 0.929 . . . . 0.0 115.364 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.7 179.35 2.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.467 1.107 . . . . 0.0 112.567 177.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.44 107.49 14.84 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.784 2.033 . . . . 0.0 111.285 -174.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 127.555 2.342 . . . . 0.0 110.216 170.28 . . . . . . . . 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 1.479 1.517 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -72.02 149.42 44.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.483 1.113 . . . . 0.0 113.228 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -71.38 -16.94 62.43 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.18 -4.05 58.6 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.083 1.325 . . . . 0.0 115.769 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -79.06 9.96 3.92 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.443 1.497 . . . . 0.0 114.827 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 p -68.44 158.56 33.44 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.874 1.27 . . . . 0.0 113.457 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.61 -172.25 45.28 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.817 1.199 . . . . 0.0 113.053 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -112.57 147.71 36.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.551 1.54 . . . . 0.0 110.584 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.54 139.28 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.841 0.746 . . . . 0.0 111.786 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.0 t -61.66 124.16 19.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.6 1.56 . . . . 0.0 111.962 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.24 47.99 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.03 -52.26 2.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.157 1.383 . . . . 0.0 111.819 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.5 p -112.74 1.12 15.52 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.257 3.4 mm? 60.48 23.59 13.23 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.006 1.722 . . . . 0.0 114.819 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.94 139.81 36.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.135 1.774 . . . . 0.0 112.209 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -97.65 148.57 23.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.194 1.397 . . . . 0.0 113.694 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -141.52 152.38 44.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.144 2.178 . . . . 0.0 112.78 -172.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -71.57 -31.4 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.556 1.543 . . . . 0.0 113.762 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -150.96 155.13 38.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.594 1.558 . . . . 0.0 110.228 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.4 p -59.26 -29.82 67.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.71 -44.23 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.063 0.945 . . . . 0.0 111.941 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -69.15 -34.62 75.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.527 0.731 . . . . 0.0 110.99 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.05 -46.03 68.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.209 1.003 . . . . 0.0 112.345 172.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -54.96 -52.25 63.62 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.369 0.986 . . . . 0.0 110.659 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -68.93 -32.54 72.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.46 -47.44 76.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.652 1.114 . . . . 0.0 111.396 170.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.38 -42.66 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 118.071 0.396 . . . . 0.0 110.141 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -67.24 -39.33 86.17 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.697 -0.627 . . . . 0.0 112.366 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.41 -38.16 68.46 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.08 -29.88 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -99.22 -14.77 19.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.396 0.544 . . . . 0.0 112.028 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.87 23.97 66.15 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.914 1.245 . . . . 0.0 116.011 172.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.62 119.75 11.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.562 1.145 . . . . 0.0 110.651 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.04 2.45 49.6 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.88 2.072 . . . . 0.0 110.959 178.724 . . . . . . . . 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 1.478 1.494 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m 52.95 39.37 29.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.911 1.284 . . . . 0.0 113.078 -172.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 m -78.43 44.92 0.54 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.878 2.071 . . . . 0.0 114.274 -169.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.79 152.86 52.68 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.924 1.249 . . . . 0.0 114.088 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -83.81 -7.31 59.49 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 p -70.65 153.82 42.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.82 1.248 . . . . 0.0 113.469 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.29 -175.37 41.77 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.87 1.224 . . . . 0.0 113.512 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -125.21 152.74 44.15 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.375 1.87 . . . . 0.0 110.328 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 t -133.22 141.17 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.326 0.967 . . . . 0.0 112.395 -172.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.8 t -57.69 135.64 56.77 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.878 1.671 . . . . 0.0 112.156 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.01 -5.82 59.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.842 0.857 . . . . 0.0 112.909 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -111.97 -53.02 2.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.984 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 p -109.71 -2.39 17.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.8 mp 60.18 26.49 15.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.168 1.787 . . . . 0.0 115.043 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -77.57 140.8 39.75 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.173 1.789 . . . . 0.0 112.336 170.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -95.88 149.47 21.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 113.495 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.01 154.05 45.83 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.398 2.279 . . . . 0.0 112.923 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.93 -30.23 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.088 1.355 . . . . 0.0 113.613 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -142.5 161.64 37.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.469 1.108 . . . . 0.0 112.38 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.5 p -68.05 -19.49 64.89 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 172.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.57 -45.33 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.903 -1.123 . . . . 0.0 109.923 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -62.09 -36.23 81.09 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.485 0.584 . . . . 0.0 111.497 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 tp -65.09 -50.14 67.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.658 1.183 . . . . 0.0 111.468 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -54.54 -47.92 72.63 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.422 1.01 . . . . 0.0 112.101 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.2 m -73.71 -33.0 64.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.098 0.959 . . . . 0.0 113.286 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -52.65 -46.48 67.16 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.096 0.862 . . . . 0.0 111.695 172.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.71 -37.58 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 122.725 0.41 . . . . 0.0 110.485 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -74.49 -35.22 63.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.123 -0.986 . . . . 0.0 112.058 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.45 -37.6 71.37 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.09 0.956 . . . . 0.0 113.219 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 m -121.43 -28.26 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -100.6 -10.75 20.66 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.265 0.626 . . . . 0.0 112.384 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.47 28.37 73.26 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.619 1.581 . . . . 0.0 116.612 170.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.06 52.8 0.91 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 118.851 1.326 . . . . 0.0 113.823 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.08 10.68 6.95 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.835 2.054 . . . . 0.0 113.855 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.799 2.04 . . . . 0.0 111.372 179.965 . . . . . . . . 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 1.479 1.515 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -67.8 148.27 51.44 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.535 1.134 . . . . 0.0 113.048 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m -71.14 149.97 45.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.492 1.117 . . . . 0.0 113.302 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.96 154.3 13.33 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.213 1.387 . . . . 0.0 112.587 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -141.22 145.45 35.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.654 1.181 . . . . 0.0 112.79 -173.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -70.0 155.43 40.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.827 1.251 . . . . 0.0 112.027 171.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.78 -169.59 42.67 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.775 -0.578 . . . . 0.0 114.341 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.97 152.9 45.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.573 1.949 . . . . 0.0 110.205 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.73 139.93 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 119.295 0.952 . . . . 0.0 112.943 -171.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.14 121.75 13.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.059 1.744 . . . . 0.0 111.942 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.45 43.54 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -105.31 -50.85 3.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.178 1.391 . . . . 0.0 111.737 -174.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.24 2.5 14.83 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.23 29.72 19.25 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.105 1.762 . . . . 0.0 114.723 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.43 140.71 29.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.703 2.001 . . . . 0.0 112.196 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -92.88 147.3 22.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.744 1.217 . . . . 0.0 113.321 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.972 2.109 . . . . 0.0 112.551 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.85 -27.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.906 1.682 . . . . 0.0 114.176 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 t -147.98 151.49 35.86 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.44 1.496 . . . . 0.0 110.812 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 p -64.43 -22.9 67.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.119 0.567 . . . . 0.0 112.09 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mm -69.64 -39.7 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 120.864 -1.147 . . . . 0.0 111.326 171.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.99 -31.53 63.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.0 0.92 . . . . 0.0 111.645 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 tp -63.94 -49.4 72.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.039 0.936 . . . . 0.0 110.503 168.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -54.22 -52.14 62.23 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.111 0.869 . . . . 0.0 111.134 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m -63.21 -40.38 97.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.872 1.269 . . . . 0.0 112.426 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -52.81 -46.87 67.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.157 0.983 . . . . 0.0 111.785 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.7 -39.7 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.429 0.292 . . . . 0.0 110.214 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -70.09 -39.35 75.63 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.417 -0.802 . . . . 0.0 111.907 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.15 -40.66 86.71 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.455 1.102 . . . . 0.0 113.102 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -122.06 -27.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.27 -11.92 19.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.045 0.538 . . . . 0.0 112.137 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.29 24.3 70.53 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.315 1.436 . . . . 0.0 116.382 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.88 101.87 2.24 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.936 1.368 . . . . 0.0 111.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.19 92.78 3.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.525 1.53 . . . . 0.0 112.772 -169.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.973 1.709 . . . . 0.0 113.508 169.903 . . . . . . . . 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 1.585 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -81.58 -11.43 59.15 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -176.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 p -73.62 155.18 39.33 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.16 1.384 . . . . 0.0 113.157 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.11 -18.56 79.75 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 123.984 0.802 . . . . 0.0 115.04 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -155.35 153.31 30.28 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.329 1.451 . . . . 0.0 111.67 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 t -147.46 146.42 29.53 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.622 1.569 . . . . 0.0 110.682 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.85 164.87 53.19 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.291 0.948 . . . . 0.0 115.288 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -93.97 143.69 26.13 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.037 1.735 . . . . 0.0 110.315 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 t -118.7 137.24 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.799 0.727 . . . . 0.0 112.652 -170.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.1 122.46 16.64 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.497 1.519 . . . . 0.0 111.681 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.89 -6.96 45.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -103.25 -50.78 3.39 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.26 1.424 . . . . 0.0 111.55 -174.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.27 2.46 14.79 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.71 27.55 17.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.172 1.789 . . . . 0.0 114.822 172.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -93.51 139.3 30.89 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.571 1.948 . . . . 0.0 112.376 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -92.2 144.87 24.98 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.927 1.291 . . . . 0.0 113.154 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.48 153.27 51.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.314 2.246 . . . . 0.0 112.28 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.55 -23.63 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 125.384 1.474 . . . . 0.0 114.217 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 t -150.18 153.5 36.39 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.196 1.398 . . . . 0.0 111.578 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -60.49 -31.93 70.95 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.013 0.925 . . . . 0.0 112.008 172.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.4 mm -68.97 -40.7 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.053 0.941 . . . . 0.0 111.308 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -65.55 -39.4 91.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.29 1.036 . . . . 0.0 111.101 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -64.84 -48.44 74.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.231 1.013 . . . . 0.0 111.513 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -57.6 -48.87 78.21 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.403 -0.81 . . . . 0.0 111.133 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 t -58.44 -41.68 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.99 0.916 . . . . 0.0 112.352 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -56.57 -46.16 80.91 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.596 -0.69 . . . . 0.0 111.743 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.38 -41.0 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 118.12 0.418 . . . . 0.0 110.349 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -69.4 -39.18 78.11 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.947 0.794 . . . . 0.0 112.299 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.2 -38.74 72.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.985 0.914 . . . . 0.0 113.413 -175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.77 -29.88 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -173.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -99.05 -13.92 19.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.573 0.624 . . . . 0.0 112.04 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.12 32.33 71.12 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.327 1.441 . . . . 0.0 115.768 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.75 128.94 39.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.733 1.213 . . . . 0.0 111.722 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.14 127.68 7.92 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.898 2.079 . . . . 0.0 109.946 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.682 1.593 . . . . 0.0 112.551 176.563 . . . . . . . . 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 1.52 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -135.81 153.75 51.42 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.149 1.38 . . . . 0.0 112.217 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 p -80.18 164.07 23.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.174 1.39 . . . . 0.0 113.167 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.37 -158.12 53.11 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.322 0.963 . . . . 0.0 114.152 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -142.27 163.24 33.4 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.595 1.558 . . . . 0.0 112.4 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -85.25 -10.18 56.84 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.07 -161.43 12.77 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.414 1.483 . . . . 0.0 113.415 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -129.5 149.82 51.11 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.328 1.451 . . . . 0.0 111.354 -172.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.16 141.38 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.92 0.888 . . . . 0.0 111.346 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.4 t -58.95 136.01 57.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.619 1.567 . . . . 0.0 112.226 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.81 -6.54 59.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.805 0.842 . . . . 0.0 112.729 175.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -110.24 -53.11 2.72 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.873 1.269 . . . . 0.0 111.849 -172.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 p -109.74 -3.2 16.9 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.281 9.6 mp 60.32 26.38 15.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.158 1.783 . . . . 0.0 115.0 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -77.22 141.15 40.19 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.202 1.801 . . . . 0.0 112.343 169.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -95.84 148.55 22.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.288 1.435 . . . . 0.0 113.724 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -141.25 154.65 45.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.166 2.186 . . . . 0.0 113.141 -173.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.58 -27.75 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.596 1.559 . . . . 0.0 113.474 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -148.78 151.66 35.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.164 1.386 . . . . 0.0 111.521 -174.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.7 p -60.09 -29.07 68.33 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.049 0.94 . . . . 0.0 112.238 172.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.2 mm -67.28 -44.0 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.933 0.893 . . . . 0.0 111.26 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.9 mmm-85 -62.43 -40.25 95.96 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.892 0.877 . . . . 0.0 110.988 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.7 tp -67.5 -45.75 74.93 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.258 1.023 . . . . 0.0 111.844 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -55.0 -52.55 62.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.163 0.892 . . . . 0.0 111.123 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 m -63.43 -35.73 81.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.917 0.887 . . . . 0.0 112.881 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -57.64 -45.71 85.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.319 0.963 . . . . 0.0 111.733 169.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.63 -41.0 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 118.919 0.781 . . . . 0.0 110.358 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -68.85 -39.58 79.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.153 0.888 . . . . 0.0 112.679 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -79.24 -34.38 42.76 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.21 -32.98 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.284 1.033 . . . . 0.0 113.081 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -109.13 -15.89 14.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.92 36.91 94.08 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.784 1.183 . . . . 0.0 115.519 172.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.94 127.06 27.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.883 1.273 . . . . 0.0 111.466 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.09 88.97 6.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.961 1.705 . . . . 0.0 111.475 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.883 2.073 . . . . 0.0 113.075 -179.455 . . . . . . . . 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 1.48 1.586 0 N-CA-C 112.051 -0.419 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -80.19 160.62 25.58 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.373 1.069 . . . . 0.0 112.509 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -133.1 142.39 48.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.703 1.601 . . . . 0.0 111.572 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.25 -20.18 62.72 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 -172.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -72.95 -19.88 61.16 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.464 1.106 . . . . 0.0 113.662 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p 48.28 28.39 1.59 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.064 2.146 . . . . 0.0 116.041 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.22 -167.94 31.9 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.723 1.63 . . . . 0.0 112.847 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -125.38 153.27 43.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.348 1.859 . . . . 0.0 110.153 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t -133.49 141.08 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.604 1.093 . . . . 0.0 112.315 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 t -58.81 136.39 57.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.276 1.43 . . . . 0.0 111.429 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.74 -8.49 58.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.646 0.779 . . . . 0.0 112.482 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -52.21 2.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.638 0.775 . . . . 0.0 111.867 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -109.37 0.2 19.33 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt 61.58 20.42 11.24 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.269 1.828 . . . . 0.0 115.889 173.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -74.6 142.13 44.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.749 1.62 . . . . 0.0 112.641 172.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -88.79 152.13 21.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.167 1.387 . . . . 0.0 113.993 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.85 153.86 45.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 128.154 2.582 . . . . 0.0 112.538 -175.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.85 -26.41 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.683 1.593 . . . . 0.0 113.679 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -149.27 151.76 34.75 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.122 1.369 . . . . 0.0 111.842 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 p -60.3 -30.47 69.5 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.233 1.013 . . . . 0.0 112.389 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.4 mm -68.72 -42.13 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.246 -0.909 . . . . 0.0 111.145 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -63.59 -40.68 97.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.363 1.065 . . . . 0.0 110.928 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -64.12 -48.67 75.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.276 1.43 . . . . 0.0 111.749 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -56.73 -53.48 57.24 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.404 -0.81 . . . . 0.0 111.117 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.8 m -65.41 -34.36 78.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.892 0.877 . . . . 0.0 113.109 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -54.1 -46.36 72.08 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.299 0.954 . . . . 0.0 111.516 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.02 -41.63 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 118.595 0.634 . . . . 0.0 110.297 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -67.76 -38.19 83.12 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.319 -0.863 . . . . 0.0 112.941 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.9 -30.78 16.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 t -101.28 -36.45 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.37 1.068 . . . . 0.0 112.737 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -106.18 -15.68 14.8 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.16 24.04 76.04 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 116.282 1.273 . . . . 0.0 116.282 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.7 104.02 3.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.844 1.322 . . . . 0.0 111.25 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.75 11.59 4.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.065 1.346 . . . . 0.0 114.089 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.418 1.487 . . . . 0.0 112.508 179.496 . . . . . . . . 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 1.631 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -77.12 44.95 0.42 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.049 1.739 . . . . 0.0 112.357 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 m -82.89 -16.99 45.37 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.308 1.843 . . . . 0.0 114.678 -168.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.54 167.46 54.78 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.588 1.09 . . . . 0.0 113.74 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -147.24 -69.32 0.24 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.982 0.913 . . . . 0.0 112.292 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m 53.55 21.98 2.77 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.817 1.647 . . . . 0.0 115.325 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.74 170.96 55.06 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.527 1.061 . . . . 0.0 114.581 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -111.0 144.12 40.6 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.046 1.739 . . . . 0.0 109.81 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -126.54 140.46 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.463 1.029 . . . . 0.0 112.995 -169.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.2 t -59.24 133.47 56.12 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.823 1.649 . . . . 0.0 112.184 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.47 -5.16 57.66 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.677 0.791 . . . . 0.0 112.695 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.98 -52.31 2.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.014 1.326 . . . . 0.0 111.855 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.88 -1.14 16.6 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.276 9.5 mp 59.83 28.15 17.59 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.063 1.745 . . . . 0.0 115.108 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -84.7 141.28 30.69 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.566 1.947 . . . . 0.0 112.436 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -92.8 146.26 23.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.129 1.372 . . . . 0.0 113.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -135.81 156.36 48.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.931 2.492 . . . . 0.0 112.229 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.5 -28.42 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.034 1.334 . . . . 0.0 113.613 -178.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -145.68 162.8 36.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.098 0.959 . . . . 0.0 112.802 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -61.35 -29.82 70.13 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.987 0.915 . . . . 0.0 112.5 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mm -70.9 -44.18 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.256 1.022 . . . . 0.0 111.184 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -66.02 -35.91 81.83 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.715 0.689 . . . . 0.0 111.461 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.99 -50.89 68.97 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.554 1.142 . . . . 0.0 111.246 171.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -58.4 -49.21 78.1 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.291 -0.881 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -59.77 -40.45 88.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.036 0.934 . . . . 0.0 112.344 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.26 -47.04 76.05 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.594 -0.691 . . . . 0.0 111.737 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -61.82 -38.77 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 122.173 -0.329 . . . . 0.0 110.442 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.0 -38.25 69.68 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.247 -0.908 . . . . 0.0 112.391 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.59 -37.79 73.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.922 0.889 . . . . 0.0 113.359 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.67 -29.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -98.86 -13.55 20.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.613 0.642 . . . . 0.0 112.317 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.91 40.46 93.2 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.436 1.493 . . . . 0.0 115.608 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.8 155.17 20.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 122.792 1.282 . . . . 0.0 112.71 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.94 12.45 36.1 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.722 2.009 . . . . 0.0 114.862 -171.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.736 1.614 . . . . 0.0 113.502 -177.594 . . . . . . . . 0 0 . 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 1.593 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -86.11 -5.75 59.15 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -74.02 -18.78 60.8 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -172.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.11 159.9 17.12 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.711 1.148 . . . . 0.0 113.454 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m 54.88 27.93 9.73 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.637 1.575 . . . . 0.0 114.717 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 m -78.37 -10.09 59.54 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -171.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.02 162.53 35.67 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.422 1.487 . . . . 0.0 113.855 -174.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -93.14 140.85 29.07 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.72 1.208 . . . . 0.0 110.357 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.58 140.58 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.124 0.875 . . . . 0.0 112.248 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 t -60.69 133.4 56.06 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.654 1.582 . . . . 0.0 112.156 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -5.55 56.26 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.722 0.809 . . . . 0.0 112.77 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.64 -53.04 2.74 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.98 1.312 . . . . 0.0 111.916 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -108.81 -2.0 18.83 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.275 9.6 mp 59.57 27.43 16.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.101 1.76 . . . . 0.0 114.839 173.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -82.97 141.05 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.796 2.038 . . . . 0.0 112.197 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -93.57 147.18 23.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.102 1.361 . . . . 0.0 113.379 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.25 153.39 51.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.097 2.159 . . . . 0.0 113.043 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.6 -32.16 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.875 1.67 . . . . 0.0 113.245 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -144.34 160.55 40.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.166 0.987 . . . . 0.0 112.499 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 p -61.64 -28.98 69.76 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.628 0.771 . . . . 0.0 112.348 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -44.5 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.944 0.898 . . . . 0.0 110.69 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -62.92 -38.14 89.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.878 0.763 . . . . 0.0 111.061 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.44 -47.91 74.56 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.561 1.145 . . . . 0.0 111.581 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -55.82 -54.29 46.27 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.116 0.871 . . . . 0.0 110.948 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 m -61.29 -35.49 77.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.1 0.96 . . . . 0.0 113.15 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -58.09 -45.33 87.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.115 0.871 . . . . 0.0 111.932 170.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.26 -40.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.989 0.813 . . . . 0.0 110.459 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -67.89 -40.8 83.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.951 0.796 . . . . 0.0 112.318 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.74 -38.74 53.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.839 1.656 . . . . 0.0 113.372 -176.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -106.11 -34.5 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.354 1.061 . . . . 0.0 112.947 -170.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.01 -16.41 14.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.53 32.35 82.91 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.627 1.108 . . . . 0.0 115.303 174.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.88 125.37 22.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.536 1.134 . . . . 0.0 111.383 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.79 9.48 21.6 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.731 1.612 . . . . 0.0 114.653 -174.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.593 1.557 . . . . 0.0 112.735 -178.387 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -79.58 -14.47 58.81 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -174.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 m -67.45 146.96 53.47 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.72 1.208 . . . . 0.0 113.386 -177.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.52 173.04 51.98 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.339 0.971 . . . . 0.0 114.012 174.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -65.18 148.83 50.98 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.555 1.142 . . . . 0.0 113.008 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 p -75.43 157.76 33.64 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.818 1.247 . . . . 0.0 113.16 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.92 160.42 53.98 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.182 0.896 . . . . 0.0 113.693 176.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -86.32 146.43 26.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.914 1.286 . . . . 0.0 110.082 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.9 t -132.69 139.63 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 120.017 1.28 . . . . 0.0 112.58 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 t -60.11 126.94 29.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.554 1.942 . . . . 0.0 111.91 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.47 -5.64 56.91 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.336 -0.853 . . . . 0.0 112.631 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -48.99 4.3 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.037 1.735 . . . . 0.0 110.651 -173.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.1 p -123.96 -1.17 8.35 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.302 9.0 mp 62.11 27.17 16.38 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.938 1.695 . . . . 0.0 115.348 174.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -81.48 140.92 34.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.776 2.03 . . . . 0.0 112.477 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -93.13 146.98 23.26 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.178 1.391 . . . . 0.0 113.377 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.84 152.14 49.93 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.519 2.328 . . . . 0.0 113.042 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.99 -25.7 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.984 1.714 . . . . 0.0 113.774 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t -147.48 150.33 34.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.696 -175.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.9 p -61.15 -30.3 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.001 0.92 . . . . 0.0 112.432 172.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.84 -44.74 88.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.349 0.977 . . . . 0.0 110.425 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -38.88 91.65 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.916 0.886 . . . . 0.0 111.221 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -64.56 -51.72 61.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.583 1.153 . . . . 0.0 111.558 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -57.06 -44.35 82.94 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.212 -0.93 . . . . 0.0 112.172 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 m -76.61 -31.13 57.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.303 1.041 . . . . 0.0 113.433 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -55.0 -42.31 72.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.248 0.931 . . . . 0.0 111.527 171.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.59 -36.07 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.74 -0.6 . . . . 0.0 110.987 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -75.62 -35.45 60.49 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 111.826 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.7 -35.01 45.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.235 1.014 . . . . 0.0 113.246 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.83 -34.37 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.181 0.992 . . . . 0.0 113.204 -170.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -113.4 -9.07 13.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.208 1.003 . . . . 0.0 113.604 -176.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.37 25.71 72.15 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 169.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.24 51.81 0.87 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.085 1.442 . . . . 0.0 114.085 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.66 10.98 3.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.62 1.968 . . . . 0.0 113.81 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.537 1.935 . . . . 0.0 112.752 -179.947 . . . . . . . . 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 1.481 1.688 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -64.9 -14.92 61.2 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -172.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -69.46 -22.02 63.67 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.366 1.466 . . . . 0.0 113.844 171.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.44 13.21 73.91 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.553 1.073 . . . . 0.0 115.248 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -128.02 157.83 39.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.654 1.582 . . . . 0.0 113.081 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -133.6 3.21 3.54 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -173.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.51 175.45 42.07 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.621 1.105 . . . . 0.0 113.299 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -89.25 144.0 26.42 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.008 1.323 . . . . 0.0 109.801 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -125.96 137.78 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.46 1.027 . . . . 0.0 112.596 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 t -64.77 114.02 4.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.625 1.97 . . . . 0.0 111.753 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.46 -8.92 21.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.74 -52.23 4.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.837 2.055 . . . . 0.0 111.069 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -123.14 -1.49 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -173.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.267 53.2 mt 60.97 27.25 17.13 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.998 2.119 . . . . 0.0 115.748 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -86.34 140.2 30.27 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.266 1.827 . . . . 0.0 112.46 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.71 145.73 24.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.087 1.355 . . . . 0.0 113.277 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.5 154.05 51.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.457 2.303 . . . . 0.0 112.77 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.93 -25.45 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 113.886 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -151.32 153.57 35.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.277 1.431 . . . . 0.0 111.494 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.9 p -60.85 -33.11 72.56 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.054 0.941 . . . . 0.0 112.264 173.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.02 -44.23 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.959 0.904 . . . . 0.0 110.644 175.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -65.94 -35.65 81.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.516 1.126 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.45 -49.24 61.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.481 1.112 . . . . 0.0 112.135 170.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.2 -52.44 61.22 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.27 0.941 . . . . 0.0 111.528 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.6 m -64.89 -32.64 74.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.014 0.926 . . . . 0.0 113.24 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.37 -41.65 94.19 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.017 0.826 . . . . 0.0 111.814 170.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.83 -41.41 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 119.368 0.985 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 -65.88 -41.37 91.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.629 -0.669 . . . . 0.0 112.179 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -78.44 -38.25 41.69 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 113.284 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -105.82 -34.42 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.227 1.011 . . . . 0.0 112.969 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -107.4 -15.49 14.61 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.51 31.1 76.38 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.296 0.951 . . . . 0.0 114.895 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.69 -25.98 67.75 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -170.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.58 132.36 12.34 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.776 1.63 . . . . 0.0 109.368 172.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 124.997 1.319 . . . . 0.0 113.831 177.61 . . . . . . . . 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 1.481 1.68 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 51.8 37.82 21.55 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.843 1.257 . . . . 0.0 112.747 -169.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -70.92 146.7 49.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.489 1.516 . . . . 0.0 113.049 -169.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.71 -138.72 44.79 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 123.668 0.652 . . . . 0.0 112.862 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -88.07 -4.55 58.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.167 1.387 . . . . 0.0 114.478 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -70.77 148.48 47.88 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.622 1.169 . . . . 0.0 113.596 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.32 127.56 2.45 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.215 1.388 . . . . 0.0 113.573 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -131.8 154.97 48.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.199 1.8 . . . . 0.0 110.746 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 t -133.49 139.29 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.869 0.867 . . . . 0.0 111.673 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.0 t -65.09 118.38 9.08 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.083 1.753 . . . . 0.0 111.631 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.18 -7.55 42.7 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.33 -52.14 4.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.569 1.948 . . . . 0.0 110.716 -174.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -122.61 -0.93 9.09 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -174.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.278 3.1 mm? 63.04 21.06 12.68 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.663 1.985 . . . . 0.0 115.466 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -75.11 142.44 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -88.49 150.68 22.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.975 1.31 . . . . 0.0 114.044 175.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -141.01 154.53 46.05 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.898 2.479 . . . . 0.0 112.632 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -72.23 -35.21 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.74 1.216 . . . . 0.0 113.207 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -141.39 161.76 37.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.449 1.1 . . . . 0.0 112.738 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 p -61.39 -32.99 72.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.637 0.775 . . . . 0.0 112.111 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.67 -46.76 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.99 0.916 . . . . 0.0 111.392 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -62.96 -35.88 81.62 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.416 0.553 . . . . 0.0 111.419 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.38 -47.32 61.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.307 1.043 . . . . 0.0 112.535 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -54.59 -50.84 67.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.117 -0.99 . . . . 0.0 111.849 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -70.7 -31.4 68.26 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.932 0.893 . . . . 0.0 112.962 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -58.3 -43.06 87.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.47 1.032 . . . . 0.0 111.123 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.83 -38.62 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.778 0.717 . . . . 0.0 110.463 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -71.15 -39.13 72.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.372 -0.83 . . . . 0.0 112.77 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.84 -34.48 51.86 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -108.96 -33.82 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.238 1.015 . . . . 0.0 113.208 -169.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -111.18 -12.23 14.15 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.94 28.59 73.79 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.914 1.245 . . . . 0.0 115.931 171.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.75 137.48 58.25 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.558 1.179 . . . . 0.0 112.074 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.56 8.34 12.05 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.114 1.766 . . . . 0.0 114.789 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.251 1.137 0 C-N-CA 126.117 1.767 . . . . 0.0 111.695 178.207 . . . . . . . . 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 1.48 1.587 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p -77.8 163.15 26.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.824 1.25 . . . . 0.0 113.329 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -123.38 155.69 36.87 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.592 1.557 . . . . 0.0 111.882 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.55 157.66 52.89 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.224 0.916 . . . . 0.0 114.209 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 p -85.69 -1.66 57.4 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.492 1.517 . . . . 0.0 114.653 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -147.46 156.38 42.81 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.965 1.706 . . . . 0.0 111.422 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.51 118.71 0.67 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.349 1.452 . . . . 0.0 113.228 -176.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -133.24 149.6 51.98 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.124 1.77 . . . . 0.0 110.166 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.57 139.13 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.497 1.044 . . . . 0.0 111.994 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.7 t -59.74 135.94 57.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.618 1.567 . . . . 0.0 111.804 175.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 -6.87 59.51 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.795 0.838 . . . . 0.0 112.639 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.75 -54.47 2.55 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.843 1.257 . . . . 0.0 111.863 -171.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.8 p -106.3 -1.19 23.7 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 mt 61.17 22.27 12.6 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.194 1.798 . . . . 0.0 115.448 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -78.3 141.27 38.61 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.007 1.723 . . . . 0.0 112.97 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.45 150.24 23.9 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.265 1.426 . . . . 0.0 113.901 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -139.95 154.73 47.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.38 2.672 . . . . 0.0 112.385 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.91 -30.25 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.356 1.463 . . . . 0.0 113.555 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -147.12 151.1 36.27 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.132 1.373 . . . . 0.0 111.58 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.1 p -59.04 -31.9 69.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.007 0.923 . . . . 0.0 112.15 172.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.04 -43.38 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.854 0.862 . . . . 0.0 111.365 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -62.56 -40.66 97.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.266 1.027 . . . . 0.0 110.915 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.8 tp -66.3 -48.22 71.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.314 1.045 . . . . 0.0 111.739 174.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -58.04 -45.94 86.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.143 -0.973 . . . . 0.0 111.494 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 t -67.21 -35.61 79.96 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.889 0.876 . . . . 0.0 112.726 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -56.83 -45.99 81.98 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.373 -0.829 . . . . 0.0 111.586 170.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.86 -33.45 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 110.399 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -77.25 -34.5 55.79 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.851 -1.156 . . . . 0.0 113.404 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -74.37 -33.81 63.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.921 1.688 . . . . 0.0 113.628 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 p -131.3 -25.23 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.75 -12.95 21.7 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.86 33.63 60.38 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.616 1.579 . . . . 0.0 116.356 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.73 158.17 32.95 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 122.926 1.346 . . . . 0.0 112.818 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.13 125.31 10.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.147 2.179 . . . . 0.0 110.051 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.48 1.912 . . . . 0.0 112.752 179.206 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 N--CA 1.472 0.648 0 CA-C-O 119.564 -0.255 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.08 140.23 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.105 0.866 . . . . 0.0 112.687 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.23 135.35 57.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.916 1.686 . . . . 0.0 111.695 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -5.99 59.15 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.829 0.852 . . . . 0.0 112.745 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.88 -54.35 2.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.846 1.258 . . . . 0.0 111.87 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 p -106.86 -0.28 23.41 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 mt 60.63 23.21 13.01 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.18 1.792 . . . . 0.0 115.49 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -80.91 141.03 34.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.546 1.938 . . . . 0.0 112.556 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -96.83 148.59 22.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.925 1.29 . . . . 0.0 113.459 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -138.89 153.1 48.25 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.317 2.247 . . . . 0.0 112.028 -173.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.27 -23.62 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.404 1.082 . . . . 0.0 113.701 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.03 162.23 39.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.204 1.001 . . . . 0.0 112.979 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 p -64.58 -32.67 74.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.463 172.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.1 mm -66.43 -45.86 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.199 0.909 . . . . 0.0 110.732 172.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.9 -34.0 76.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.909 0.484 . . . . 0.0 111.598 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.52 -53.68 26.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.28 1.032 . . . . 0.0 111.818 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -55.12 -46.7 75.6 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.277 -0.89 . . . . 0.0 112.167 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.7 m -71.74 -34.48 69.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.379 1.072 . . . . 0.0 113.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.07 -45.39 68.11 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.538 1.063 . . . . 0.0 111.712 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.08 -37.58 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 122.744 0.418 . . . . 0.0 110.393 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -75.29 -35.15 61.33 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.337 -0.852 . . . . 0.0 111.898 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.39 -39.27 81.75 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.039 0.936 . . . . 0.0 112.895 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.88 -27.37 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -170.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -101.09 -12.06 19.12 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.26 0.624 . . . . 0.0 112.164 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 125.706 1.622 . . . . 0.0 116.24 173.116 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.426 0.158 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.01 139.85 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.169 0.988 . . . . 0.0 111.226 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -62.85 124.82 22.04 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.172 1.389 . . . . 0.0 111.872 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.83 -6.14 39.43 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.0 -54.61 2.51 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.137 1.375 . . . . 0.0 111.889 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -107.15 -0.77 22.54 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.253 3.4 mm? 60.51 20.6 10.36 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.207 1.803 . . . . 0.0 115.056 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -72.42 141.0 48.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.064 1.345 . . . . 0.0 112.091 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -89.77 151.99 21.53 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.314 1.446 . . . . 0.0 113.826 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -141.75 153.26 44.48 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 127.466 2.306 . . . . 0.0 112.932 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.88 -30.82 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.453 1.501 . . . . 0.0 113.42 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 t -147.97 153.03 38.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.871 1.268 . . . . 0.0 111.307 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -62.02 -30.38 70.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.932 0.893 . . . . 0.0 112.575 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.04 -41.99 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 119.4 1.0 . . . . 0.0 110.775 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -60.29 -41.99 94.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 111.048 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 tp -69.99 -46.9 64.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.832 1.253 . . . . 0.0 112.276 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -55.64 -43.77 76.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.085 0.954 . . . . 0.0 111.984 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -77.77 -32.14 52.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.334 1.054 . . . . 0.0 113.387 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -55.18 -43.42 74.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.348 0.976 . . . . 0.0 111.77 171.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.47 -37.37 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 121.742 -0.599 . . . . 0.0 110.491 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -74.2 -35.9 63.97 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.109 -0.994 . . . . 0.0 111.901 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.93 -33.98 44.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.304 1.042 . . . . 0.0 113.435 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -109.54 -33.46 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.202 1.001 . . . . 0.0 113.111 -170.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -113.38 -10.91 13.22 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.249 1.404 . . . . 0.0 116.443 171.37 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -133.85 138.98 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.467 -0.77 . . . . 0.0 111.651 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 t -58.98 135.08 57.5 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.485 1.514 . . . . 0.0 111.522 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -6.7 59.52 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.796 0.838 . . . . 0.0 112.602 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -108.55 -53.28 2.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.922 1.289 . . . . 0.0 111.728 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.98 -0.26 19.68 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.0 mt 61.23 21.98 12.37 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 126.004 1.722 . . . . 0.0 115.447 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.24 140.44 38.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.286 1.834 . . . . 0.0 112.594 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -95.14 149.27 21.47 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.312 1.445 . . . . 0.0 113.63 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -141.75 152.98 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.609 2.364 . . . . 0.0 112.452 -173.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.39 -33.62 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.809 1.243 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -144.31 157.73 44.12 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.142 1.377 . . . . 0.0 111.927 -173.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -59.58 -39.88 85.55 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.183 0.993 . . . . 0.0 112.861 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.54 -41.89 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.36 1.064 . . . . 0.0 111.761 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -61.78 -41.4 97.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.521 1.128 . . . . 0.0 110.861 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.88 -48.4 63.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.269 1.028 . . . . 0.0 112.09 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -54.62 -50.34 68.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.832 0.853 . . . . 0.0 111.323 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.5 m -67.1 -36.3 81.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.778 0.831 . . . . 0.0 112.92 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -54.26 -46.5 72.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.666 1.121 . . . . 0.0 111.684 170.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.03 -40.76 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 122.024 -0.422 . . . . 0.0 110.254 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -70.1 -38.77 75.72 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.415 -0.803 . . . . 0.0 112.413 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -67.4 -41.76 84.43 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.25 1.02 . . . . 0.0 113.142 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.16 -27.61 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -100.33 -14.28 18.45 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.369 0.532 . . . . 0.0 112.009 176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.276 0 C-N-CA 125.29 1.424 . . . . 0.0 115.518 175.806 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.469 0.5 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.91 138.88 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.39 0.995 . . . . 0.0 113.014 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -58.21 135.6 57.13 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.795 1.638 . . . . 0.0 111.65 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.62 -6.12 59.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.836 0.854 . . . . 0.0 112.742 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.12 -53.96 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.836 1.255 . . . . 0.0 111.817 -171.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.54 0.15 22.49 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 mt 60.83 23.46 13.46 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 115.536 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -81.65 140.93 34.1 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.438 1.895 . . . . 0.0 112.666 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -95.61 146.54 24.4 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.413 1.485 . . . . 0.0 113.279 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -136.1 153.78 51.2 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.187 2.195 . . . . 0.0 112.899 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.51 -26.56 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.543 1.537 . . . . 0.0 113.888 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -148.85 152.91 37.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.566 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 p -59.52 -30.28 68.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.997 0.919 . . . . 0.0 112.142 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mm -66.97 -42.98 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.971 0.908 . . . . 0.0 111.434 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mmm-85 -63.79 -39.44 94.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 111.248 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.09 -50.73 67.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.719 1.208 . . . . 0.0 111.316 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -58.69 -43.9 90.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.415 -0.803 . . . . 0.0 111.878 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -70.7 -37.87 73.63 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.993 0.917 . . . . 0.0 112.988 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -52.61 -45.53 66.62 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.905 0.882 . . . . 0.0 111.907 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.26 -36.52 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 122.758 0.423 . . . . 0.0 110.487 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -75.04 -36.56 61.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.143 -0.973 . . . . 0.0 111.592 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.94 -36.8 72.76 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.275 1.03 . . . . 0.0 113.156 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.76 -28.65 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -174.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -100.36 -11.68 20.07 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.643 0.656 . . . . 0.0 112.42 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.255 0 C-N-CA 125.741 1.638 . . . . 0.0 116.48 172.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 119.135 -0.459 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -123.41 137.67 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 119.17 0.895 . . . . 0.0 112.49 -171.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.63 123.34 18.59 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.424 1.49 . . . . 0.0 111.685 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.0 -6.22 40.57 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.37 -52.9 2.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.237 1.415 . . . . 0.0 111.793 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -109.98 0.73 18.65 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.254 3.3 mm? 61.16 21.88 12.25 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.196 1.798 . . . . 0.0 115.129 174.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -80.13 139.46 36.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.674 1.589 . . . . 0.0 112.42 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -88.04 150.73 23.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.773 1.229 . . . . 0.0 113.616 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -136.14 155.13 50.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.465 2.706 . . . . 0.0 111.83 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.46 -29.94 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.119 1.368 . . . . 0.0 113.465 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 t -147.88 152.98 38.51 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.104 1.362 . . . . 0.0 111.425 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 t -55.64 -34.7 65.17 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.325 1.05 . . . . 0.0 111.563 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.08 -39.83 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.021 -1.049 . . . . 0.0 111.206 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -62.84 -40.45 97.48 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.237 0.615 . . . . 0.0 111.135 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.92 -45.37 78.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.412 1.085 . . . . 0.0 111.978 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -54.3 -52.88 60.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 111.091 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -68.22 -34.03 75.5 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.65 0.78 . . . . 0.0 112.969 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -55.09 -44.89 75.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.557 1.071 . . . . 0.0 111.588 169.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.27 -41.22 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.794 0.725 . . . . 0.0 110.282 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -69.0 -39.11 79.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.407 -0.808 . . . . 0.0 112.566 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.34 -35.6 47.33 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.58 -27.95 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.109 0.964 . . . . 0.0 113.538 -167.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -112.83 -15.19 12.97 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 115.766 173.688 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 119.094 -0.479 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.15 139.75 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.579 1.082 . . . . 0.0 112.466 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.53 134.22 56.86 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.806 1.642 . . . . 0.0 112.365 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.62 -6.16 57.91 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.698 0.799 . . . . 0.0 112.769 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.2 -52.83 2.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.995 1.318 . . . . 0.0 111.876 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.9 -2.8 16.97 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.2 mp 59.74 27.5 16.78 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.09 1.756 . . . . 0.0 115.025 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -79.86 142.06 35.57 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.691 1.997 . . . . 0.0 112.268 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -96.56 146.9 24.4 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.425 1.49 . . . . 0.0 113.499 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -138.18 152.51 48.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.179 2.192 . . . . 0.0 113.197 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.69 -30.88 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.212 1.805 . . . . 0.0 113.608 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -148.77 152.67 36.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.837 1.255 . . . . 0.0 111.436 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 p -57.83 -29.73 65.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.396 1.078 . . . . 0.0 112.56 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.53 -43.91 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.92 0.888 . . . . 0.0 111.595 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -64.63 -40.15 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.994 0.918 . . . . 0.0 110.779 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.41 -48.25 76.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.588 1.155 . . . . 0.0 111.344 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -58.05 -50.44 73.43 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.443 -0.786 . . . . 0.0 111.015 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -63.65 -36.56 84.23 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.474 0.71 . . . . 0.0 112.74 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.98 -44.85 78.93 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.387 -0.82 . . . . 0.0 111.727 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.61 -42.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.921 0.782 . . . . 0.0 110.274 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -66.49 -40.46 89.31 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.594 -0.691 . . . . 0.0 112.584 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -79.77 -34.75 39.51 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -107.72 -32.87 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.166 0.986 . . . . 0.0 113.02 -169.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -109.63 -15.48 14.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.273 0 N-CA-C 116.009 1.164 . . . . 0.0 116.009 172.501 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.3 t -128.37 139.2 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.101 0.864 . . . . 0.0 112.079 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.18 121.38 14.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.491 1.516 . . . . 0.0 111.7 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -6.58 41.6 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.58 -51.24 3.24 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.229 1.411 . . . . 0.0 111.599 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.48 0.69 14.79 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.256 3.3 mm? 61.4 22.12 12.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.328 1.851 . . . . 0.0 115.027 175.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -79.73 139.2 37.4 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.984 1.714 . . . . 0.0 112.268 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -95.56 148.09 22.87 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.864 1.266 . . . . 0.0 113.328 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.64 154.05 49.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.319 2.248 . . . . 0.0 112.628 -174.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.82 -28.51 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.84 1.656 . . . . 0.0 113.671 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 t -150.28 151.17 32.55 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.278 1.431 . . . . 0.0 111.372 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -60.69 -30.28 69.84 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.136 0.974 . . . . 0.0 112.318 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.36 -46.65 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.431 1.014 . . . . 0.0 110.505 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.89 -37.23 86.65 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.608 0.763 . . . . 0.0 111.182 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.2 -46.94 72.39 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.87 0.868 . . . . 0.0 112.024 173.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -56.87 -50.16 73.32 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.203 -0.935 . . . . 0.0 111.147 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.5 m -67.27 -35.39 79.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.319 1.048 . . . . 0.0 112.821 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -55.09 -46.41 75.49 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.201 0.909 . . . . 0.0 111.19 169.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.21 -40.85 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.691 -0.631 . . . . 0.0 110.379 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -68.77 -38.87 80.33 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.02 0.827 . . . . 0.0 112.945 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.49 -29.75 21.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.5 -37.49 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.22 1.008 . . . . 0.0 112.907 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -108.13 -14.65 14.68 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.294 0 C-N-CA 124.652 1.12 . . . . 0.0 115.694 173.774 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 119.694 -0.194 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.18 139.35 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.768 0.827 . . . . 0.0 111.448 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.21 123.49 18.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.566 1.546 . . . . 0.0 111.9 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -6.97 45.03 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.41 -52.38 2.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.245 1.418 . . . . 0.0 111.761 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.0 p -111.88 1.07 16.34 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.255 3.3 mm? 60.35 24.36 13.86 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.085 1.754 . . . . 0.0 114.918 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -83.28 139.92 32.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.537 1.935 . . . . 0.0 112.232 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -95.44 147.98 22.96 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.962 1.305 . . . . 0.0 113.666 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.83 153.65 45.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.417 2.287 . . . . 0.0 112.354 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.34 -37.89 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.95 1.3 . . . . 0.0 113.327 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.3 m -145.32 157.29 44.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.231 1.413 . . . . 0.0 111.317 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -56.39 -37.56 70.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.466 1.107 . . . . 0.0 113.201 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -59.74 -44.97 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.301 1.041 . . . . 0.0 112.004 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.201 0.6 . . . . 0.0 111.105 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.9 -48.55 68.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.537 0.735 . . . . 0.0 111.674 171.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -56.09 -53.02 62.01 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.458 1.026 . . . . 0.0 111.303 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.3 m -59.82 -35.95 75.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.766 0.826 . . . . 0.0 113.149 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -58.85 -45.3 90.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.569 1.077 . . . . 0.0 111.821 169.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.84 -42.15 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.998 0.817 . . . . 0.0 110.347 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -64.79 -42.72 94.83 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.992 0.815 . . . . 0.0 112.735 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.77 -34.19 52.4 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 t -108.13 -33.12 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.923 0.889 . . . . 0.0 113.118 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -110.94 -13.99 14.03 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.26 0 C-N-CA 124.252 0.929 . . . . 0.0 115.364 172.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.54 139.28 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.841 0.746 . . . . 0.0 111.786 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.0 t -61.66 124.16 19.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.6 1.56 . . . . 0.0 111.962 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.24 47.99 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.03 -52.26 2.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.157 1.383 . . . . 0.0 111.819 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.5 p -112.74 1.12 15.52 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.257 3.4 mm? 60.48 23.59 13.23 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.006 1.722 . . . . 0.0 114.819 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.94 139.81 36.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.135 1.774 . . . . 0.0 112.209 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -97.65 148.57 23.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.194 1.397 . . . . 0.0 113.694 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -141.52 152.38 44.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.144 2.178 . . . . 0.0 112.78 -172.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -71.57 -31.4 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.556 1.543 . . . . 0.0 113.762 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -150.96 155.13 38.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.594 1.558 . . . . 0.0 110.228 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.4 p -59.26 -29.82 67.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.71 -44.23 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.063 0.945 . . . . 0.0 111.941 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -69.15 -34.62 75.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.527 0.731 . . . . 0.0 110.99 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.05 -46.03 68.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.209 1.003 . . . . 0.0 112.345 172.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -54.96 -52.25 63.62 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.369 0.986 . . . . 0.0 110.659 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -68.93 -32.54 72.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.46 -47.44 76.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.652 1.114 . . . . 0.0 111.396 170.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.38 -42.66 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 118.071 0.396 . . . . 0.0 110.141 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -67.24 -39.33 86.17 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.697 -0.627 . . . . 0.0 112.366 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.41 -38.16 68.46 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.08 -29.88 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -99.22 -14.77 19.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.396 0.544 . . . . 0.0 112.028 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.404 0 C-N-CA 124.914 1.245 . . . . 0.0 116.011 172.917 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 t -133.22 141.17 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.326 0.967 . . . . 0.0 112.395 -172.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.8 t -57.69 135.64 56.77 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.878 1.671 . . . . 0.0 112.156 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.01 -5.82 59.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.842 0.857 . . . . 0.0 112.909 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -111.97 -53.02 2.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.984 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 p -109.71 -2.39 17.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.8 mp 60.18 26.49 15.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.168 1.787 . . . . 0.0 115.043 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -77.57 140.8 39.75 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.173 1.789 . . . . 0.0 112.336 170.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -95.88 149.47 21.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 113.495 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.01 154.05 45.83 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.398 2.279 . . . . 0.0 112.923 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.93 -30.23 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.088 1.355 . . . . 0.0 113.613 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -142.5 161.64 37.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.469 1.108 . . . . 0.0 112.38 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.5 p -68.05 -19.49 64.89 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 172.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.57 -45.33 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.903 -1.123 . . . . 0.0 109.923 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -62.09 -36.23 81.09 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.485 0.584 . . . . 0.0 111.497 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 tp -65.09 -50.14 67.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.658 1.183 . . . . 0.0 111.468 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -54.54 -47.92 72.63 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.422 1.01 . . . . 0.0 112.101 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.2 m -73.71 -33.0 64.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.098 0.959 . . . . 0.0 113.286 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -52.65 -46.48 67.16 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.096 0.862 . . . . 0.0 111.695 172.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.71 -37.58 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 122.725 0.41 . . . . 0.0 110.485 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -74.49 -35.22 63.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.123 -0.986 . . . . 0.0 112.058 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.45 -37.6 71.37 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.09 0.956 . . . . 0.0 113.219 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 m -121.43 -28.26 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -100.6 -10.75 20.66 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.265 0.626 . . . . 0.0 112.384 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.145 0 C-N-CA 125.619 1.581 . . . . 0.0 116.612 170.907 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 119.281 -0.39 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.73 139.93 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 119.295 0.952 . . . . 0.0 112.943 -171.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.14 121.75 13.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.059 1.744 . . . . 0.0 111.942 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.45 43.54 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -105.31 -50.85 3.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.178 1.391 . . . . 0.0 111.737 -174.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.24 2.5 14.83 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.23 29.72 19.25 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.105 1.762 . . . . 0.0 114.723 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.43 140.71 29.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.703 2.001 . . . . 0.0 112.196 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -92.88 147.3 22.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.744 1.217 . . . . 0.0 113.321 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.972 2.109 . . . . 0.0 112.551 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.85 -27.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.906 1.682 . . . . 0.0 114.176 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 t -147.98 151.49 35.86 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.44 1.496 . . . . 0.0 110.812 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 p -64.43 -22.9 67.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.119 0.567 . . . . 0.0 112.09 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mm -69.64 -39.7 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 120.864 -1.147 . . . . 0.0 111.326 171.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.99 -31.53 63.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.0 0.92 . . . . 0.0 111.645 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 tp -63.94 -49.4 72.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.039 0.936 . . . . 0.0 110.503 168.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -54.22 -52.14 62.23 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.111 0.869 . . . . 0.0 111.134 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m -63.21 -40.38 97.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.872 1.269 . . . . 0.0 112.426 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -52.81 -46.87 67.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.157 0.983 . . . . 0.0 111.785 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.7 -39.7 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.429 0.292 . . . . 0.0 110.214 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -70.09 -39.35 75.63 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.417 -0.802 . . . . 0.0 111.907 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.15 -40.66 86.71 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.455 1.102 . . . . 0.0 113.102 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -122.06 -27.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.27 -11.92 19.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.045 0.538 . . . . 0.0 112.137 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.327 0 C-N-CA 125.315 1.436 . . . . 0.0 116.382 171.311 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.47 0.55 0 CA-C-O 119.402 -0.333 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 t -118.7 137.24 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.799 0.727 . . . . 0.0 112.652 -170.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.1 122.46 16.64 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.497 1.519 . . . . 0.0 111.681 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.89 -6.96 45.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -103.25 -50.78 3.39 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.26 1.424 . . . . 0.0 111.55 -174.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.27 2.46 14.79 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.71 27.55 17.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.172 1.789 . . . . 0.0 114.822 172.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -93.51 139.3 30.89 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.571 1.948 . . . . 0.0 112.376 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -92.2 144.87 24.98 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.927 1.291 . . . . 0.0 113.154 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.48 153.27 51.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.314 2.246 . . . . 0.0 112.28 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.55 -23.63 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 125.384 1.474 . . . . 0.0 114.217 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 t -150.18 153.5 36.39 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.196 1.398 . . . . 0.0 111.578 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -60.49 -31.93 70.95 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.013 0.925 . . . . 0.0 112.008 172.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.4 mm -68.97 -40.7 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.053 0.941 . . . . 0.0 111.308 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -65.55 -39.4 91.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.29 1.036 . . . . 0.0 111.101 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -64.84 -48.44 74.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.231 1.013 . . . . 0.0 111.513 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -57.6 -48.87 78.21 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.403 -0.81 . . . . 0.0 111.133 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 t -58.44 -41.68 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.99 0.916 . . . . 0.0 112.352 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -56.57 -46.16 80.91 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.596 -0.69 . . . . 0.0 111.743 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.38 -41.0 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 118.12 0.418 . . . . 0.0 110.349 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -69.4 -39.18 78.11 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.947 0.794 . . . . 0.0 112.299 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.2 -38.74 72.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.985 0.914 . . . . 0.0 113.413 -175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.77 -29.88 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -173.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -99.05 -13.92 19.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.573 0.624 . . . . 0.0 112.04 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 C-N-CA 125.327 1.441 . . . . 0.0 115.768 173.323 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 111.354 0.131 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.16 141.38 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.92 0.888 . . . . 0.0 111.346 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.4 t -58.95 136.01 57.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.619 1.567 . . . . 0.0 112.226 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.81 -6.54 59.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.805 0.842 . . . . 0.0 112.729 175.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -110.24 -53.11 2.72 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.873 1.269 . . . . 0.0 111.849 -172.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 p -109.74 -3.2 16.9 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.281 9.6 mp 60.32 26.38 15.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.158 1.783 . . . . 0.0 115.0 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -77.22 141.15 40.19 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.202 1.801 . . . . 0.0 112.343 169.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -95.84 148.55 22.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.288 1.435 . . . . 0.0 113.724 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -141.25 154.65 45.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.166 2.186 . . . . 0.0 113.141 -173.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.58 -27.75 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.596 1.559 . . . . 0.0 113.474 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -148.78 151.66 35.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.164 1.386 . . . . 0.0 111.521 -174.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.7 p -60.09 -29.07 68.33 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.049 0.94 . . . . 0.0 112.238 172.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.2 mm -67.28 -44.0 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.933 0.893 . . . . 0.0 111.26 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.9 mmm-85 -62.43 -40.25 95.96 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.892 0.877 . . . . 0.0 110.988 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.7 tp -67.5 -45.75 74.93 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.258 1.023 . . . . 0.0 111.844 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -55.0 -52.55 62.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.163 0.892 . . . . 0.0 111.123 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 m -63.43 -35.73 81.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.917 0.887 . . . . 0.0 112.881 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -57.64 -45.71 85.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.319 0.963 . . . . 0.0 111.733 169.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.63 -41.0 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 118.919 0.781 . . . . 0.0 110.358 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -68.85 -39.58 79.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.153 0.888 . . . . 0.0 112.679 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -79.24 -34.38 42.76 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.21 -32.98 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.284 1.033 . . . . 0.0 113.081 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -109.13 -15.89 14.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 C-N-CA 124.784 1.183 . . . . 0.0 115.519 172.36 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t -133.49 141.08 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.604 1.093 . . . . 0.0 112.315 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 t -58.81 136.39 57.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.276 1.43 . . . . 0.0 111.429 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.74 -8.49 58.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.646 0.779 . . . . 0.0 112.482 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.521 HD12 ' CG ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -105.62 -52.21 2.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.638 0.775 . . . . 0.0 111.867 -175.415 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -109.37 0.2 19.33 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt 61.58 20.42 11.24 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.269 1.828 . . . . 0.0 115.889 173.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -74.6 142.13 44.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.749 1.62 . . . . 0.0 112.641 172.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -88.79 152.13 21.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.167 1.387 . . . . 0.0 113.993 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.85 153.86 45.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 128.154 2.582 . . . . 0.0 112.538 -175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.85 -26.41 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.683 1.593 . . . . 0.0 113.679 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -149.27 151.76 34.75 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.122 1.369 . . . . 0.0 111.842 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 p -60.3 -30.47 69.5 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.233 1.013 . . . . 0.0 112.389 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.4 mm -68.72 -42.13 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.246 -0.909 . . . . 0.0 111.145 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -63.59 -40.68 97.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.363 1.065 . . . . 0.0 110.928 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -64.12 -48.67 75.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.276 1.43 . . . . 0.0 111.749 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -56.73 -53.48 57.24 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.404 -0.81 . . . . 0.0 111.117 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.8 m -65.41 -34.36 78.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.892 0.877 . . . . 0.0 113.109 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -54.1 -46.36 72.08 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.299 0.954 . . . . 0.0 111.516 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.02 -41.63 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 118.595 0.634 . . . . 0.0 110.297 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -67.76 -38.19 83.12 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.319 -0.863 . . . . 0.0 112.941 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.9 -30.78 16.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 t -101.28 -36.45 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.37 1.068 . . . . 0.0 112.737 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.521 ' CG ' HD12 ' A' ' 12' ' ' LEU . 89.4 m-70 -106.18 -15.68 14.8 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 N-CA-C 116.282 1.273 . . . . 0.0 116.282 172.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -126.54 140.46 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.463 1.029 . . . . 0.0 112.995 -169.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.2 t -59.24 133.47 56.12 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.823 1.649 . . . . 0.0 112.184 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.47 -5.16 57.66 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.677 0.791 . . . . 0.0 112.695 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.98 -52.31 2.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.014 1.326 . . . . 0.0 111.855 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.88 -1.14 16.6 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.276 9.5 mp 59.83 28.15 17.59 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.063 1.745 . . . . 0.0 115.108 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -84.7 141.28 30.69 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.566 1.947 . . . . 0.0 112.436 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -92.8 146.26 23.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.129 1.372 . . . . 0.0 113.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -135.81 156.36 48.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.931 2.492 . . . . 0.0 112.229 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.5 -28.42 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.034 1.334 . . . . 0.0 113.613 -178.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -145.68 162.8 36.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.098 0.959 . . . . 0.0 112.802 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -61.35 -29.82 70.13 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.987 0.915 . . . . 0.0 112.5 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mm -70.9 -44.18 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.256 1.022 . . . . 0.0 111.184 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -66.02 -35.91 81.83 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.715 0.689 . . . . 0.0 111.461 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.99 -50.89 68.97 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.554 1.142 . . . . 0.0 111.246 171.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -58.4 -49.21 78.1 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.291 -0.881 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -59.77 -40.45 88.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.036 0.934 . . . . 0.0 112.344 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.26 -47.04 76.05 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.594 -0.691 . . . . 0.0 111.737 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -61.82 -38.77 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 122.173 -0.329 . . . . 0.0 110.442 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.0 -38.25 69.68 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.247 -0.908 . . . . 0.0 112.391 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.59 -37.79 73.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.922 0.889 . . . . 0.0 113.359 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.67 -29.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -98.86 -13.55 20.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.613 0.642 . . . . 0.0 112.317 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.226 0 C-N-CA 125.436 1.493 . . . . 0.0 115.608 173.349 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 119.252 -0.404 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.58 140.58 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.124 0.875 . . . . 0.0 112.248 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 t -60.69 133.4 56.06 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.654 1.582 . . . . 0.0 112.156 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -5.55 56.26 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.722 0.809 . . . . 0.0 112.77 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.64 -53.04 2.74 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.98 1.312 . . . . 0.0 111.916 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -108.81 -2.0 18.83 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.275 9.6 mp 59.57 27.43 16.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.101 1.76 . . . . 0.0 114.839 173.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -82.97 141.05 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.796 2.038 . . . . 0.0 112.197 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -93.57 147.18 23.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.102 1.361 . . . . 0.0 113.379 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.25 153.39 51.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.097 2.159 . . . . 0.0 113.043 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.6 -32.16 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.875 1.67 . . . . 0.0 113.245 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -144.34 160.55 40.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.166 0.987 . . . . 0.0 112.499 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 p -61.64 -28.98 69.76 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.628 0.771 . . . . 0.0 112.348 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -44.5 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.944 0.898 . . . . 0.0 110.69 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -62.92 -38.14 89.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.878 0.763 . . . . 0.0 111.061 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.44 -47.91 74.56 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.561 1.145 . . . . 0.0 111.581 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -55.82 -54.29 46.27 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.116 0.871 . . . . 0.0 110.948 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 m -61.29 -35.49 77.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.1 0.96 . . . . 0.0 113.15 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -58.09 -45.33 87.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.115 0.871 . . . . 0.0 111.932 170.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.26 -40.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.989 0.813 . . . . 0.0 110.459 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -67.89 -40.8 83.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.951 0.796 . . . . 0.0 112.318 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.74 -38.74 53.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.839 1.656 . . . . 0.0 113.372 -176.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -106.11 -34.5 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.354 1.061 . . . . 0.0 112.947 -170.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.01 -16.41 14.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.327 0 C-N-CA 124.627 1.108 . . . . 0.0 115.303 174.286 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.9 t -132.69 139.63 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 120.017 1.28 . . . . 0.0 112.58 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 t -60.11 126.94 29.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.554 1.942 . . . . 0.0 111.91 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.47 -5.64 56.91 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.336 -0.853 . . . . 0.0 112.631 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -48.99 4.3 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.037 1.735 . . . . 0.0 110.651 -173.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.1 p -123.96 -1.17 8.35 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.302 9.0 mp 62.11 27.17 16.38 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.938 1.695 . . . . 0.0 115.348 174.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -81.48 140.92 34.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.776 2.03 . . . . 0.0 112.477 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -93.13 146.98 23.26 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.178 1.391 . . . . 0.0 113.377 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.84 152.14 49.93 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.519 2.328 . . . . 0.0 113.042 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.99 -25.7 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.984 1.714 . . . . 0.0 113.774 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t -147.48 150.33 34.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.696 -175.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.9 p -61.15 -30.3 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.001 0.92 . . . . 0.0 112.432 172.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.84 -44.74 88.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.349 0.977 . . . . 0.0 110.425 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -38.88 91.65 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.916 0.886 . . . . 0.0 111.221 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -64.56 -51.72 61.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.583 1.153 . . . . 0.0 111.558 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -57.06 -44.35 82.94 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.212 -0.93 . . . . 0.0 112.172 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 m -76.61 -31.13 57.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.303 1.041 . . . . 0.0 113.433 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -55.0 -42.31 72.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.248 0.931 . . . . 0.0 111.527 171.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.59 -36.07 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.74 -0.6 . . . . 0.0 110.987 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -75.62 -35.45 60.49 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 111.826 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.7 -35.01 45.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.235 1.014 . . . . 0.0 113.246 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.83 -34.37 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.181 0.992 . . . . 0.0 113.204 -170.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -113.4 -9.07 13.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.208 1.003 . . . . 0.0 113.604 -176.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.145 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 169.894 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 119.124 -0.465 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -125.96 137.78 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.46 1.027 . . . . 0.0 112.596 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 t -64.77 114.02 4.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.625 1.97 . . . . 0.0 111.753 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.46 -8.92 21.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.74 -52.23 4.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.837 2.055 . . . . 0.0 111.069 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -123.14 -1.49 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -173.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.267 53.2 mt 60.97 27.25 17.13 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.998 2.119 . . . . 0.0 115.748 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -86.34 140.2 30.27 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.266 1.827 . . . . 0.0 112.46 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.71 145.73 24.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.087 1.355 . . . . 0.0 113.277 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.5 154.05 51.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.457 2.303 . . . . 0.0 112.77 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.93 -25.45 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 113.886 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -151.32 153.57 35.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.277 1.431 . . . . 0.0 111.494 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.9 p -60.85 -33.11 72.56 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.054 0.941 . . . . 0.0 112.264 173.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.02 -44.23 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.959 0.904 . . . . 0.0 110.644 175.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -65.94 -35.65 81.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.516 1.126 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.45 -49.24 61.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.481 1.112 . . . . 0.0 112.135 170.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.2 -52.44 61.22 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.27 0.941 . . . . 0.0 111.528 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.6 m -64.89 -32.64 74.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.014 0.926 . . . . 0.0 113.24 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.37 -41.65 94.19 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.017 0.826 . . . . 0.0 111.814 170.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.83 -41.41 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 119.368 0.985 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 -65.88 -41.37 91.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.629 -0.669 . . . . 0.0 112.179 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -78.44 -38.25 41.69 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 113.284 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -105.82 -34.42 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.227 1.011 . . . . 0.0 112.969 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -107.4 -15.49 14.61 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.332 0 C-N-CA 124.296 0.951 . . . . 0.0 114.895 174.018 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.716 -0.183 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 t -133.49 139.29 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.869 0.867 . . . . 0.0 111.673 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.0 t -65.09 118.38 9.08 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.083 1.753 . . . . 0.0 111.631 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.18 -7.55 42.7 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.33 -52.14 4.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.569 1.948 . . . . 0.0 110.716 -174.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -122.61 -0.93 9.09 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -174.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.278 3.1 mm? 63.04 21.06 12.68 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.663 1.985 . . . . 0.0 115.466 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -75.11 142.44 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -88.49 150.68 22.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.975 1.31 . . . . 0.0 114.044 175.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -141.01 154.53 46.05 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.898 2.479 . . . . 0.0 112.632 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -72.23 -35.21 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.74 1.216 . . . . 0.0 113.207 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -141.39 161.76 37.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.449 1.1 . . . . 0.0 112.738 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 p -61.39 -32.99 72.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.637 0.775 . . . . 0.0 112.111 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.67 -46.76 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.99 0.916 . . . . 0.0 111.392 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -62.96 -35.88 81.62 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.416 0.553 . . . . 0.0 111.419 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.38 -47.32 61.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.307 1.043 . . . . 0.0 112.535 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -54.59 -50.84 67.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.117 -0.99 . . . . 0.0 111.849 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -70.7 -31.4 68.26 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.932 0.893 . . . . 0.0 112.962 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -58.3 -43.06 87.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.47 1.032 . . . . 0.0 111.123 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.83 -38.62 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.778 0.717 . . . . 0.0 110.463 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -71.15 -39.13 72.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.372 -0.83 . . . . 0.0 112.77 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.84 -34.48 51.86 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -108.96 -33.82 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.238 1.015 . . . . 0.0 113.208 -169.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -111.18 -12.23 14.15 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.304 0 C-N-CA 124.914 1.245 . . . . 0.0 115.931 171.639 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.066 -0.492 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.57 139.13 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.497 1.044 . . . . 0.0 111.994 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 23' ' ' LEU . 33.7 t -59.74 135.94 57.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.618 1.567 . . . . 0.0 111.804 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 -6.87 59.51 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.795 0.838 . . . . 0.0 112.639 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.75 -54.47 2.55 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.843 1.257 . . . . 0.0 111.863 -171.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.8 p -106.3 -1.19 23.7 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 mt 61.17 22.27 12.6 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.194 1.798 . . . . 0.0 115.448 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -78.3 141.27 38.61 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.007 1.723 . . . . 0.0 112.97 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.45 150.24 23.9 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.265 1.426 . . . . 0.0 113.901 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -139.95 154.73 47.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.38 2.672 . . . . 0.0 112.385 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.91 -30.25 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.356 1.463 . . . . 0.0 113.555 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -147.12 151.1 36.27 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.132 1.373 . . . . 0.0 111.58 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.1 p -59.04 -31.9 69.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.007 0.923 . . . . 0.0 112.15 172.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.04 -43.38 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.854 0.862 . . . . 0.0 111.365 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -62.56 -40.66 97.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.266 1.027 . . . . 0.0 110.915 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 10' ' ' CYS . 23.8 tp -66.3 -48.22 71.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.314 1.045 . . . . 0.0 111.739 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -58.04 -45.94 86.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.143 -0.973 . . . . 0.0 111.494 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 t -67.21 -35.61 79.96 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.889 0.876 . . . . 0.0 112.726 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -56.83 -45.99 81.98 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.373 -0.829 . . . . 0.0 111.586 170.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.86 -33.45 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 110.399 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -77.25 -34.5 55.79 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.851 -1.156 . . . . 0.0 113.404 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -74.37 -33.81 63.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.921 1.688 . . . . 0.0 113.628 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 p -131.3 -25.23 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.75 -12.95 21.7 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.335 0 C-N-CA 125.616 1.579 . . . . 0.0 116.356 174.918 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -72.51 158.84 34.96 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.755 0.822 . . . . 0.0 112.573 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -79.75 126.79 31.4 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.141 0.976 . . . . 0.0 111.116 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.23 -159.2 37.43 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 123.912 0.768 . . . . 0.0 113.561 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t 60.18 177.29 0.09 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.847 1.659 . . . . 0.0 115.152 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -124.0 11.78 8.95 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.015 2.126 . . . . 0.0 112.14 172.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.82 178.99 45.48 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.774 1.178 . . . . 0.0 114.009 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -119.26 149.66 41.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.559 1.944 . . . . 0.0 110.795 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.08 140.23 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.105 0.866 . . . . 0.0 112.687 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.23 135.35 57.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.916 1.686 . . . . 0.0 111.695 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -5.99 59.15 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.829 0.852 . . . . 0.0 112.745 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.88 -54.35 2.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.846 1.258 . . . . 0.0 111.87 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 p -106.86 -0.28 23.41 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 mt 60.63 23.21 13.01 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.18 1.792 . . . . 0.0 115.49 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -80.91 141.03 34.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.546 1.938 . . . . 0.0 112.556 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -96.83 148.59 22.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.925 1.29 . . . . 0.0 113.459 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -138.89 153.1 48.25 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.317 2.247 . . . . 0.0 112.028 -173.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.27 -23.62 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.404 1.082 . . . . 0.0 113.701 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.03 162.23 39.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.204 1.001 . . . . 0.0 112.979 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 p -64.58 -32.67 74.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.463 172.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.1 mm -66.43 -45.86 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.199 0.909 . . . . 0.0 110.732 172.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.9 -34.0 76.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.909 0.484 . . . . 0.0 111.598 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.52 -53.68 26.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.28 1.032 . . . . 0.0 111.818 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -55.12 -46.7 75.6 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.277 -0.89 . . . . 0.0 112.167 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.7 m -71.74 -34.48 69.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.379 1.072 . . . . 0.0 113.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.07 -45.39 68.11 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.538 1.063 . . . . 0.0 111.712 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.08 -37.58 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 122.744 0.418 . . . . 0.0 110.393 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -75.29 -35.15 61.33 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.337 -0.852 . . . . 0.0 111.898 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.39 -39.27 81.75 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.039 0.936 . . . . 0.0 112.895 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.88 -27.37 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -170.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -101.09 -12.06 19.12 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.26 0.624 . . . . 0.0 112.164 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.95 26.34 70.09 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.706 1.622 . . . . 0.0 116.24 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.98 100.23 2.43 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.717 1.258 . . . . 0.0 111.916 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.3 -150.39 0.28 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.298 1.439 . . . . 0.0 111.2 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 127.21 2.204 . . . . 0.0 111.56 -178.214 . . . . . . . . 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 1.563 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -80.99 -14.39 57.99 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -68.26 140.13 56.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.611 1.165 . . . . 0.0 113.196 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.55 169.9 54.88 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.433 1.016 . . . . 0.0 113.701 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -150.38 150.04 30.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.853 1.261 . . . . 0.0 111.92 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -154.38 152.51 30.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.973 1.709 . . . . 0.0 110.667 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.97 -166.31 46.48 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.282 0.944 . . . . 0.0 113.59 -171.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -128.77 150.51 50.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.007 1.323 . . . . 0.0 111.426 -171.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.01 139.85 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.169 0.988 . . . . 0.0 111.226 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -62.85 124.82 22.04 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.172 1.389 . . . . 0.0 111.872 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.83 -6.14 39.43 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.0 -54.61 2.51 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.137 1.375 . . . . 0.0 111.889 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -107.15 -0.77 22.54 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.253 3.4 mm? 60.51 20.6 10.36 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.207 1.803 . . . . 0.0 115.056 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -72.42 141.0 48.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.064 1.345 . . . . 0.0 112.091 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -89.77 151.99 21.53 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.314 1.446 . . . . 0.0 113.826 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -141.75 153.26 44.48 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 127.466 2.306 . . . . 0.0 112.932 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.88 -30.82 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.453 1.501 . . . . 0.0 113.42 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 t -147.97 153.03 38.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.871 1.268 . . . . 0.0 111.307 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -62.02 -30.38 70.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.932 0.893 . . . . 0.0 112.575 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.04 -41.99 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 119.4 1.0 . . . . 0.0 110.775 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -60.29 -41.99 94.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 111.048 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 tp -69.99 -46.9 64.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.832 1.253 . . . . 0.0 112.276 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -55.64 -43.77 76.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.085 0.954 . . . . 0.0 111.984 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -77.77 -32.14 52.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.334 1.054 . . . . 0.0 113.387 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -55.18 -43.42 74.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.348 0.976 . . . . 0.0 111.77 171.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.47 -37.37 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 121.742 -0.599 . . . . 0.0 110.491 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -74.2 -35.9 63.97 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.109 -0.994 . . . . 0.0 111.901 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.93 -33.98 44.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.304 1.042 . . . . 0.0 113.435 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -109.54 -33.46 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.202 1.001 . . . . 0.0 113.111 -170.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -113.38 -10.91 13.22 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.1 27.37 70.38 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.249 1.404 . . . . 0.0 116.443 171.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.09 57.46 1.39 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.071 1.436 . . . . 0.0 113.554 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.33 17.09 4.05 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.324 2.25 . . . . 0.0 112.895 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 126.193 1.797 . . . . 0.0 112.984 -175.462 . . . . . . . . 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 1.478 1.497 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -57.83 134.27 56.15 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.528 1.131 . . . . 0.0 112.517 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m 56.62 18.05 3.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.05 168.09 54.35 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.56 1.076 . . . . 0.0 113.903 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -145.42 156.92 44.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.041 1.337 . . . . 0.0 112.745 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 p -111.56 7.25 20.53 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.849 1.66 . . . . 0.0 114.242 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.35 -179.6 45.07 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.437 1.494 . . . . 0.0 112.703 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -97.68 146.39 25.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.996 1.318 . . . . 0.0 110.44 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -133.85 138.98 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.467 -0.77 . . . . 0.0 111.651 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 t -58.98 135.08 57.5 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.485 1.514 . . . . 0.0 111.522 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -6.7 59.52 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.796 0.838 . . . . 0.0 112.602 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -108.55 -53.28 2.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.922 1.289 . . . . 0.0 111.728 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.98 -0.26 19.68 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.0 mt 61.23 21.98 12.37 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 126.004 1.722 . . . . 0.0 115.447 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.24 140.44 38.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.286 1.834 . . . . 0.0 112.594 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -95.14 149.27 21.47 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.312 1.445 . . . . 0.0 113.63 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -141.75 152.98 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.609 2.364 . . . . 0.0 112.452 -173.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.39 -33.62 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.809 1.243 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -144.31 157.73 44.12 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.142 1.377 . . . . 0.0 111.927 -173.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -59.58 -39.88 85.55 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.183 0.993 . . . . 0.0 112.861 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.54 -41.89 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.36 1.064 . . . . 0.0 111.761 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -61.78 -41.4 97.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.521 1.128 . . . . 0.0 110.861 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.88 -48.4 63.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.269 1.028 . . . . 0.0 112.09 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -54.62 -50.34 68.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.832 0.853 . . . . 0.0 111.323 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.5 m -67.1 -36.3 81.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.778 0.831 . . . . 0.0 112.92 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -54.26 -46.5 72.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.666 1.121 . . . . 0.0 111.684 170.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.03 -40.76 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 122.024 -0.422 . . . . 0.0 110.254 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -70.1 -38.77 75.72 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.415 -0.803 . . . . 0.0 112.413 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -67.4 -41.76 84.43 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.25 1.02 . . . . 0.0 113.142 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.16 -27.61 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -100.33 -14.28 18.45 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.369 0.532 . . . . 0.0 112.009 176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.03 31.29 61.41 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.29 1.424 . . . . 0.0 115.518 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.67 71.42 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -169.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.5 135.5 9.83 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.715 1.606 . . . . 0.0 109.952 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 125.884 1.674 . . . . 0.0 112.588 176.872 . . . . . . . . 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 1.481 1.654 0 N-CA-C 112.151 -0.38 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -149.75 149.03 29.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.111 1.365 . . . . 0.0 111.949 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -80.64 -14.5 58.11 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.675 1.19 . . . . 0.0 113.378 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.02 80.55 0.03 OUTLIER Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.469 1.033 . . . . 0.0 112.726 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -66.87 121.94 16.59 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.464 0.706 . . . . 0.0 111.309 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m 56.85 17.05 3.04 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.17 154.23 8.15 Favored Glycine 0 CA--C 1.533 1.186 0 O-C-N 121.082 -1.011 . . . . 0.0 113.976 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -83.34 143.77 30.13 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.579 1.552 . . . . 0.0 110.543 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.91 138.88 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.39 0.995 . . . . 0.0 113.014 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -58.21 135.6 57.13 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.795 1.638 . . . . 0.0 111.65 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.62 -6.12 59.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.836 0.854 . . . . 0.0 112.742 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.12 -53.96 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.836 1.255 . . . . 0.0 111.817 -171.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.54 0.15 22.49 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 mt 60.83 23.46 13.46 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 115.536 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -81.65 140.93 34.1 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.438 1.895 . . . . 0.0 112.666 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -95.61 146.54 24.4 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.413 1.485 . . . . 0.0 113.279 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -136.1 153.78 51.2 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.187 2.195 . . . . 0.0 112.899 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.51 -26.56 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.543 1.537 . . . . 0.0 113.888 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -148.85 152.91 37.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.566 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 p -59.52 -30.28 68.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.997 0.919 . . . . 0.0 112.142 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mm -66.97 -42.98 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.971 0.908 . . . . 0.0 111.434 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mmm-85 -63.79 -39.44 94.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 111.248 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.09 -50.73 67.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.719 1.208 . . . . 0.0 111.316 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -58.69 -43.9 90.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.415 -0.803 . . . . 0.0 111.878 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -70.7 -37.87 73.63 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.993 0.917 . . . . 0.0 112.988 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -52.61 -45.53 66.62 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.905 0.882 . . . . 0.0 111.907 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.26 -36.52 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 122.758 0.423 . . . . 0.0 110.487 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -75.04 -36.56 61.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.143 -0.973 . . . . 0.0 111.592 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.94 -36.8 72.76 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.275 1.03 . . . . 0.0 113.156 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.76 -28.65 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -174.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -100.36 -11.68 20.07 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.643 0.656 . . . . 0.0 112.42 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 64.28 26.99 70.97 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.741 1.638 . . . . 0.0 116.48 172.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.26 94.92 2.56 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.916 1.358 . . . . 0.0 112.103 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.48 125.89 8.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.628 1.571 . . . . 0.0 110.14 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 . . . . . 0 C--O 1.255 1.37 0 C-N-CA 125.976 1.71 . . . . 0.0 112.353 179.421 . . . . . . . . 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 1.48 1.623 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -67.44 146.56 53.88 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.367 1.067 . . . . 0.0 112.963 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 p -79.88 152.57 29.57 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.729 1.212 . . . . 0.0 113.128 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.56 173.98 53.0 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.449 1.024 . . . . 0.0 113.824 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -79.05 44.47 0.57 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.743 1.617 . . . . 0.0 112.888 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -73.75 153.55 39.97 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.692 1.597 . . . . 0.0 113.96 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.27 170.15 43.15 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.344 1.45 . . . . 0.0 115.049 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -121.16 143.85 48.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.33 1.852 . . . . 0.0 110.126 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -123.41 137.67 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 119.17 0.895 . . . . 0.0 112.49 -171.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.63 123.34 18.59 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.424 1.49 . . . . 0.0 111.685 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.0 -6.22 40.57 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.37 -52.9 2.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.237 1.415 . . . . 0.0 111.793 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -109.98 0.73 18.65 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.254 3.3 mm? 61.16 21.88 12.25 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.196 1.798 . . . . 0.0 115.129 174.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -80.13 139.46 36.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.674 1.589 . . . . 0.0 112.42 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -88.04 150.73 23.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.773 1.229 . . . . 0.0 113.616 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -136.14 155.13 50.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.465 2.706 . . . . 0.0 111.83 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.46 -29.94 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.119 1.368 . . . . 0.0 113.465 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 t -147.88 152.98 38.51 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.104 1.362 . . . . 0.0 111.425 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 t -55.64 -34.7 65.17 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.325 1.05 . . . . 0.0 111.563 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.08 -39.83 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.021 -1.049 . . . . 0.0 111.206 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -62.84 -40.45 97.48 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.237 0.615 . . . . 0.0 111.135 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.92 -45.37 78.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.412 1.085 . . . . 0.0 111.978 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -54.3 -52.88 60.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 111.091 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -68.22 -34.03 75.5 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.65 0.78 . . . . 0.0 112.969 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -55.09 -44.89 75.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.557 1.071 . . . . 0.0 111.588 169.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.27 -41.22 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.794 0.725 . . . . 0.0 110.282 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -69.0 -39.11 79.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.407 -0.808 . . . . 0.0 112.566 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.34 -35.6 47.33 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.58 -27.95 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.109 0.964 . . . . 0.0 113.538 -167.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -112.83 -15.19 12.97 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.31 25.31 73.63 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 115.766 173.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 130.24 42.62 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.471 1.135 . . . . 0.0 111.67 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.79 11.04 32.86 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.165 1.786 . . . . 0.0 114.289 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.719 1.608 . . . . 0.0 113.458 -175.377 . . . . . . . . 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 1.479 1.543 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -136.19 152.98 51.36 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.211 1.404 . . . . 0.0 112.002 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -148.36 161.83 40.77 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.198 1.399 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.35 -164.01 50.85 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.338 0.97 . . . . 0.0 114.5 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -97.88 11.68 36.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.96 1.704 . . . . 0.0 114.317 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 m -64.05 147.11 52.92 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.024 1.329 . . . . 0.0 113.795 -175.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.97 174.15 44.91 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.35 1.452 . . . . 0.0 112.584 177.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -84.49 144.51 28.66 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.257 1.023 . . . . 0.0 109.866 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.15 139.75 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.579 1.082 . . . . 0.0 112.466 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.53 134.22 56.86 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.806 1.642 . . . . 0.0 112.365 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.62 -6.16 57.91 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.698 0.799 . . . . 0.0 112.769 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.2 -52.83 2.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.995 1.318 . . . . 0.0 111.876 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.9 -2.8 16.97 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.2 mp 59.74 27.5 16.78 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.09 1.756 . . . . 0.0 115.025 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -79.86 142.06 35.57 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.691 1.997 . . . . 0.0 112.268 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -96.56 146.9 24.4 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.425 1.49 . . . . 0.0 113.499 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -138.18 152.51 48.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.179 2.192 . . . . 0.0 113.197 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.69 -30.88 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.212 1.805 . . . . 0.0 113.608 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -148.77 152.67 36.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.837 1.255 . . . . 0.0 111.436 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 p -57.83 -29.73 65.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.396 1.078 . . . . 0.0 112.56 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.53 -43.91 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.92 0.888 . . . . 0.0 111.595 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -64.63 -40.15 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.994 0.918 . . . . 0.0 110.779 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.41 -48.25 76.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.588 1.155 . . . . 0.0 111.344 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -58.05 -50.44 73.43 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.443 -0.786 . . . . 0.0 111.015 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -63.65 -36.56 84.23 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.474 0.71 . . . . 0.0 112.74 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.98 -44.85 78.93 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.387 -0.82 . . . . 0.0 111.727 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.61 -42.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.921 0.782 . . . . 0.0 110.274 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -66.49 -40.46 89.31 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.594 -0.691 . . . . 0.0 112.584 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -79.77 -34.75 39.51 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -107.72 -32.87 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.166 0.986 . . . . 0.0 113.02 -169.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -109.63 -15.48 14.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.72 24.11 74.05 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 116.009 1.164 . . . . 0.0 116.009 172.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 123.91 20.87 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.54 1.17 . . . . 0.0 110.257 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.43 6.28 42.43 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -173.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.542 1.537 . . . . 0.0 113.228 -176.168 . . . . . . . . 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 1.48 1.59 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -80.0 -15.42 57.28 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -147.63 170.29 17.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.191 1.796 . . . . 0.0 111.185 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.09 151.45 22.36 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.481 1.039 . . . . 0.0 114.037 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -69.7 168.23 15.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.012 1.725 . . . . 0.0 113.879 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m 63.12 170.37 0.15 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.604 1.962 . . . . 0.0 114.706 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.08 177.71 50.09 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.423 1.011 . . . . 0.0 113.636 -171.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -132.72 147.87 52.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.267 1.427 . . . . 0.0 110.816 -170.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.3 t -128.37 139.2 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.101 0.864 . . . . 0.0 112.079 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.18 121.38 14.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.491 1.516 . . . . 0.0 111.7 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -6.58 41.6 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.58 -51.24 3.24 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.229 1.411 . . . . 0.0 111.599 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.48 0.69 14.79 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.256 3.3 mm? 61.4 22.12 12.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.328 1.851 . . . . 0.0 115.027 175.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -79.73 139.2 37.4 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.984 1.714 . . . . 0.0 112.268 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -95.56 148.09 22.87 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.864 1.266 . . . . 0.0 113.328 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.64 154.05 49.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.319 2.248 . . . . 0.0 112.628 -174.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.82 -28.51 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.84 1.656 . . . . 0.0 113.671 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 t -150.28 151.17 32.55 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.278 1.431 . . . . 0.0 111.372 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -60.69 -30.28 69.84 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.136 0.974 . . . . 0.0 112.318 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.36 -46.65 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.431 1.014 . . . . 0.0 110.505 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.89 -37.23 86.65 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.608 0.763 . . . . 0.0 111.182 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.2 -46.94 72.39 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.87 0.868 . . . . 0.0 112.024 173.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -56.87 -50.16 73.32 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.203 -0.935 . . . . 0.0 111.147 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.5 m -67.27 -35.39 79.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.319 1.048 . . . . 0.0 112.821 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -55.09 -46.41 75.49 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.201 0.909 . . . . 0.0 111.19 169.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.21 -40.85 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.691 -0.631 . . . . 0.0 110.379 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -68.77 -38.87 80.33 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.02 0.827 . . . . 0.0 112.945 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.49 -29.75 21.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.5 -37.49 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.22 1.008 . . . . 0.0 112.907 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -108.13 -14.65 14.68 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.27 30.31 77.13 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.652 1.12 . . . . 0.0 115.694 173.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.47 -24.35 66.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.18 150.79 22.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.482 1.913 . . . . 0.0 109.353 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.568 2.347 . . . . 0.0 111.5 -179.9 . . . . . . . . 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 1.632 0 N-CA-C 111.991 -0.444 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -69.65 150.84 46.58 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.388 1.075 . . . . 0.0 113.32 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 m -77.25 143.76 38.69 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.372 1.069 . . . . 0.0 112.258 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.7 11.6 77.61 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -64.74 149.01 50.01 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.851 1.326 . . . . 0.0 113.159 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -76.58 157.55 31.89 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.366 1.066 . . . . 0.0 113.625 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.9 168.21 41.35 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.849 1.69 . . . . 0.0 112.148 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -125.42 147.74 49.07 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.147 1.379 . . . . 0.0 111.089 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.18 139.35 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.768 0.827 . . . . 0.0 111.448 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.21 123.49 18.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.566 1.546 . . . . 0.0 111.9 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -6.97 45.03 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.41 -52.38 2.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.245 1.418 . . . . 0.0 111.761 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.0 p -111.88 1.07 16.34 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.255 3.3 mm? 60.35 24.36 13.86 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.085 1.754 . . . . 0.0 114.918 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -83.28 139.92 32.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.537 1.935 . . . . 0.0 112.232 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -95.44 147.98 22.96 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.962 1.305 . . . . 0.0 113.666 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.83 153.65 45.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.417 2.287 . . . . 0.0 112.354 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.34 -37.89 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.95 1.3 . . . . 0.0 113.327 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.3 m -145.32 157.29 44.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.231 1.413 . . . . 0.0 111.317 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -56.39 -37.56 70.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.466 1.107 . . . . 0.0 113.201 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -59.74 -44.97 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.301 1.041 . . . . 0.0 112.004 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.201 0.6 . . . . 0.0 111.105 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.9 -48.55 68.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.537 0.735 . . . . 0.0 111.674 171.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -56.09 -53.02 62.01 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.458 1.026 . . . . 0.0 111.303 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.3 m -59.82 -35.95 75.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.766 0.826 . . . . 0.0 113.149 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -58.85 -45.3 90.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.569 1.077 . . . . 0.0 111.821 169.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.84 -42.15 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.998 0.817 . . . . 0.0 110.347 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -64.79 -42.72 94.83 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.992 0.815 . . . . 0.0 112.735 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.77 -34.19 52.4 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 t -108.13 -33.12 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.923 0.889 . . . . 0.0 113.118 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -110.94 -13.99 14.03 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.44 36.42 92.58 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.252 0.929 . . . . 0.0 115.364 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.7 179.35 2.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.467 1.107 . . . . 0.0 112.567 177.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.44 107.49 14.84 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.784 2.033 . . . . 0.0 111.285 -174.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 127.555 2.342 . . . . 0.0 110.216 170.28 . . . . . . . . 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 1.479 1.517 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -72.02 149.42 44.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.483 1.113 . . . . 0.0 113.228 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -71.38 -16.94 62.43 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.18 -4.05 58.6 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.083 1.325 . . . . 0.0 115.769 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -79.06 9.96 3.92 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.443 1.497 . . . . 0.0 114.827 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 p -68.44 158.56 33.44 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.874 1.27 . . . . 0.0 113.457 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.61 -172.25 45.28 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.817 1.199 . . . . 0.0 113.053 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -112.57 147.71 36.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.551 1.54 . . . . 0.0 110.584 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.54 139.28 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.841 0.746 . . . . 0.0 111.786 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.0 t -61.66 124.16 19.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.6 1.56 . . . . 0.0 111.962 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.24 47.99 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.03 -52.26 2.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.157 1.383 . . . . 0.0 111.819 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.5 p -112.74 1.12 15.52 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.257 3.4 mm? 60.48 23.59 13.23 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.006 1.722 . . . . 0.0 114.819 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.94 139.81 36.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.135 1.774 . . . . 0.0 112.209 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -97.65 148.57 23.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.194 1.397 . . . . 0.0 113.694 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -141.52 152.38 44.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.144 2.178 . . . . 0.0 112.78 -172.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -71.57 -31.4 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.556 1.543 . . . . 0.0 113.762 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -150.96 155.13 38.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.594 1.558 . . . . 0.0 110.228 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.4 p -59.26 -29.82 67.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.71 -44.23 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.063 0.945 . . . . 0.0 111.941 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -69.15 -34.62 75.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.527 0.731 . . . . 0.0 110.99 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.05 -46.03 68.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.209 1.003 . . . . 0.0 112.345 172.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -54.96 -52.25 63.62 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.369 0.986 . . . . 0.0 110.659 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -68.93 -32.54 72.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.46 -47.44 76.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.652 1.114 . . . . 0.0 111.396 170.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.38 -42.66 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 118.071 0.396 . . . . 0.0 110.141 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -67.24 -39.33 86.17 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.697 -0.627 . . . . 0.0 112.366 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.41 -38.16 68.46 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.08 -29.88 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -99.22 -14.77 19.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.396 0.544 . . . . 0.0 112.028 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.87 23.97 66.15 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.914 1.245 . . . . 0.0 116.011 172.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.62 119.75 11.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.562 1.145 . . . . 0.0 110.651 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.04 2.45 49.6 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.88 2.072 . . . . 0.0 110.959 178.724 . . . . . . . . 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 1.478 1.494 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m 52.95 39.37 29.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.911 1.284 . . . . 0.0 113.078 -172.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 m -78.43 44.92 0.54 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.878 2.071 . . . . 0.0 114.274 -169.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.79 152.86 52.68 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.924 1.249 . . . . 0.0 114.088 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -83.81 -7.31 59.49 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 p -70.65 153.82 42.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.82 1.248 . . . . 0.0 113.469 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.29 -175.37 41.77 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.87 1.224 . . . . 0.0 113.512 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -125.21 152.74 44.15 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.375 1.87 . . . . 0.0 110.328 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 t -133.22 141.17 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.326 0.967 . . . . 0.0 112.395 -172.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.8 t -57.69 135.64 56.77 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.878 1.671 . . . . 0.0 112.156 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.01 -5.82 59.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.842 0.857 . . . . 0.0 112.909 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -111.97 -53.02 2.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.984 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 p -109.71 -2.39 17.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.8 mp 60.18 26.49 15.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.168 1.787 . . . . 0.0 115.043 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -77.57 140.8 39.75 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.173 1.789 . . . . 0.0 112.336 170.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -95.88 149.47 21.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 113.495 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.01 154.05 45.83 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.398 2.279 . . . . 0.0 112.923 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.93 -30.23 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.088 1.355 . . . . 0.0 113.613 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -142.5 161.64 37.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.469 1.108 . . . . 0.0 112.38 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.5 p -68.05 -19.49 64.89 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 172.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.57 -45.33 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.903 -1.123 . . . . 0.0 109.923 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -62.09 -36.23 81.09 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.485 0.584 . . . . 0.0 111.497 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 tp -65.09 -50.14 67.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.658 1.183 . . . . 0.0 111.468 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -54.54 -47.92 72.63 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.422 1.01 . . . . 0.0 112.101 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.2 m -73.71 -33.0 64.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.098 0.959 . . . . 0.0 113.286 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -52.65 -46.48 67.16 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.096 0.862 . . . . 0.0 111.695 172.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.71 -37.58 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 122.725 0.41 . . . . 0.0 110.485 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -74.49 -35.22 63.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.123 -0.986 . . . . 0.0 112.058 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.45 -37.6 71.37 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.09 0.956 . . . . 0.0 113.219 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 m -121.43 -28.26 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -100.6 -10.75 20.66 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.265 0.626 . . . . 0.0 112.384 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.47 28.37 73.26 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.619 1.581 . . . . 0.0 116.612 170.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.06 52.8 0.91 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 118.851 1.326 . . . . 0.0 113.823 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.08 10.68 6.95 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.835 2.054 . . . . 0.0 113.855 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.799 2.04 . . . . 0.0 111.372 179.965 . . . . . . . . 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 1.479 1.515 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -67.8 148.27 51.44 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.535 1.134 . . . . 0.0 113.048 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m -71.14 149.97 45.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.492 1.117 . . . . 0.0 113.302 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.96 154.3 13.33 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.213 1.387 . . . . 0.0 112.587 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -141.22 145.45 35.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.654 1.181 . . . . 0.0 112.79 -173.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -70.0 155.43 40.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.827 1.251 . . . . 0.0 112.027 171.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.78 -169.59 42.67 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.775 -0.578 . . . . 0.0 114.341 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.97 152.9 45.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.573 1.949 . . . . 0.0 110.205 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.73 139.93 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 119.295 0.952 . . . . 0.0 112.943 -171.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.14 121.75 13.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.059 1.744 . . . . 0.0 111.942 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.45 43.54 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -105.31 -50.85 3.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.178 1.391 . . . . 0.0 111.737 -174.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.24 2.5 14.83 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.23 29.72 19.25 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.105 1.762 . . . . 0.0 114.723 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.43 140.71 29.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.703 2.001 . . . . 0.0 112.196 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -92.88 147.3 22.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.744 1.217 . . . . 0.0 113.321 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.972 2.109 . . . . 0.0 112.551 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.85 -27.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.906 1.682 . . . . 0.0 114.176 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 t -147.98 151.49 35.86 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.44 1.496 . . . . 0.0 110.812 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 p -64.43 -22.9 67.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.119 0.567 . . . . 0.0 112.09 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mm -69.64 -39.7 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 120.864 -1.147 . . . . 0.0 111.326 171.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.99 -31.53 63.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.0 0.92 . . . . 0.0 111.645 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 tp -63.94 -49.4 72.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.039 0.936 . . . . 0.0 110.503 168.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -54.22 -52.14 62.23 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.111 0.869 . . . . 0.0 111.134 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m -63.21 -40.38 97.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.872 1.269 . . . . 0.0 112.426 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -52.81 -46.87 67.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.157 0.983 . . . . 0.0 111.785 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.7 -39.7 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.429 0.292 . . . . 0.0 110.214 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -70.09 -39.35 75.63 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.417 -0.802 . . . . 0.0 111.907 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.15 -40.66 86.71 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.455 1.102 . . . . 0.0 113.102 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -122.06 -27.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.27 -11.92 19.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.045 0.538 . . . . 0.0 112.137 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.29 24.3 70.53 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.315 1.436 . . . . 0.0 116.382 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.88 101.87 2.24 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.936 1.368 . . . . 0.0 111.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.19 92.78 3.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.525 1.53 . . . . 0.0 112.772 -169.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.973 1.709 . . . . 0.0 113.508 169.903 . . . . . . . . 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 1.585 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -81.58 -11.43 59.15 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -176.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 p -73.62 155.18 39.33 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.16 1.384 . . . . 0.0 113.157 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.11 -18.56 79.75 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 123.984 0.802 . . . . 0.0 115.04 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -155.35 153.31 30.28 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.329 1.451 . . . . 0.0 111.67 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 t -147.46 146.42 29.53 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.622 1.569 . . . . 0.0 110.682 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.85 164.87 53.19 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.291 0.948 . . . . 0.0 115.288 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -93.97 143.69 26.13 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.037 1.735 . . . . 0.0 110.315 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 t -118.7 137.24 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.799 0.727 . . . . 0.0 112.652 -170.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.1 122.46 16.64 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.497 1.519 . . . . 0.0 111.681 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.89 -6.96 45.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -103.25 -50.78 3.39 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.26 1.424 . . . . 0.0 111.55 -174.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.27 2.46 14.79 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.71 27.55 17.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.172 1.789 . . . . 0.0 114.822 172.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -93.51 139.3 30.89 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.571 1.948 . . . . 0.0 112.376 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -92.2 144.87 24.98 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.927 1.291 . . . . 0.0 113.154 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.48 153.27 51.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.314 2.246 . . . . 0.0 112.28 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.55 -23.63 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 125.384 1.474 . . . . 0.0 114.217 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 t -150.18 153.5 36.39 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.196 1.398 . . . . 0.0 111.578 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -60.49 -31.93 70.95 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.013 0.925 . . . . 0.0 112.008 172.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.4 mm -68.97 -40.7 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.053 0.941 . . . . 0.0 111.308 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -65.55 -39.4 91.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.29 1.036 . . . . 0.0 111.101 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -64.84 -48.44 74.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.231 1.013 . . . . 0.0 111.513 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -57.6 -48.87 78.21 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.403 -0.81 . . . . 0.0 111.133 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 t -58.44 -41.68 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.99 0.916 . . . . 0.0 112.352 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -56.57 -46.16 80.91 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.596 -0.69 . . . . 0.0 111.743 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.38 -41.0 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 118.12 0.418 . . . . 0.0 110.349 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -69.4 -39.18 78.11 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.947 0.794 . . . . 0.0 112.299 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.2 -38.74 72.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.985 0.914 . . . . 0.0 113.413 -175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.77 -29.88 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -173.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -99.05 -13.92 19.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.573 0.624 . . . . 0.0 112.04 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.12 32.33 71.12 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.327 1.441 . . . . 0.0 115.768 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.75 128.94 39.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.733 1.213 . . . . 0.0 111.722 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.14 127.68 7.92 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.898 2.079 . . . . 0.0 109.946 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.682 1.593 . . . . 0.0 112.551 176.563 . . . . . . . . 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 1.52 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -135.81 153.75 51.42 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.149 1.38 . . . . 0.0 112.217 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 p -80.18 164.07 23.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.174 1.39 . . . . 0.0 113.167 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.37 -158.12 53.11 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.322 0.963 . . . . 0.0 114.152 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -142.27 163.24 33.4 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.595 1.558 . . . . 0.0 112.4 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -85.25 -10.18 56.84 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.07 -161.43 12.77 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.414 1.483 . . . . 0.0 113.415 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -129.5 149.82 51.11 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.328 1.451 . . . . 0.0 111.354 -172.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.16 141.38 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.92 0.888 . . . . 0.0 111.346 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.4 t -58.95 136.01 57.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.619 1.567 . . . . 0.0 112.226 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.81 -6.54 59.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.805 0.842 . . . . 0.0 112.729 175.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -110.24 -53.11 2.72 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.873 1.269 . . . . 0.0 111.849 -172.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 p -109.74 -3.2 16.9 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.281 9.6 mp 60.32 26.38 15.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.158 1.783 . . . . 0.0 115.0 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -77.22 141.15 40.19 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.202 1.801 . . . . 0.0 112.343 169.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -95.84 148.55 22.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.288 1.435 . . . . 0.0 113.724 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -141.25 154.65 45.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.166 2.186 . . . . 0.0 113.141 -173.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.58 -27.75 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.596 1.559 . . . . 0.0 113.474 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -148.78 151.66 35.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.164 1.386 . . . . 0.0 111.521 -174.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.7 p -60.09 -29.07 68.33 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.049 0.94 . . . . 0.0 112.238 172.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.2 mm -67.28 -44.0 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.933 0.893 . . . . 0.0 111.26 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.9 mmm-85 -62.43 -40.25 95.96 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.892 0.877 . . . . 0.0 110.988 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.7 tp -67.5 -45.75 74.93 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.258 1.023 . . . . 0.0 111.844 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -55.0 -52.55 62.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.163 0.892 . . . . 0.0 111.123 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 m -63.43 -35.73 81.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.917 0.887 . . . . 0.0 112.881 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -57.64 -45.71 85.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.319 0.963 . . . . 0.0 111.733 169.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.63 -41.0 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 118.919 0.781 . . . . 0.0 110.358 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -68.85 -39.58 79.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.153 0.888 . . . . 0.0 112.679 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -79.24 -34.38 42.76 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.21 -32.98 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.284 1.033 . . . . 0.0 113.081 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -109.13 -15.89 14.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.92 36.91 94.08 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.784 1.183 . . . . 0.0 115.519 172.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.94 127.06 27.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.883 1.273 . . . . 0.0 111.466 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.09 88.97 6.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.961 1.705 . . . . 0.0 111.475 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.883 2.073 . . . . 0.0 113.075 -179.455 . . . . . . . . 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 1.48 1.586 0 N-CA-C 112.051 -0.419 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -80.19 160.62 25.58 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.373 1.069 . . . . 0.0 112.509 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -133.1 142.39 48.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.703 1.601 . . . . 0.0 111.572 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.25 -20.18 62.72 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 -172.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -72.95 -19.88 61.16 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.464 1.106 . . . . 0.0 113.662 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p 48.28 28.39 1.59 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.064 2.146 . . . . 0.0 116.041 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.22 -167.94 31.9 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.723 1.63 . . . . 0.0 112.847 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -125.38 153.27 43.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.348 1.859 . . . . 0.0 110.153 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t -133.49 141.08 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.604 1.093 . . . . 0.0 112.315 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 t -58.81 136.39 57.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.276 1.43 . . . . 0.0 111.429 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.74 -8.49 58.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.646 0.779 . . . . 0.0 112.482 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 HD12 ' CG ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -105.62 -52.21 2.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.638 0.775 . . . . 0.0 111.867 -175.415 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -109.37 0.2 19.33 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt 61.58 20.42 11.24 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.269 1.828 . . . . 0.0 115.889 173.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -74.6 142.13 44.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.749 1.62 . . . . 0.0 112.641 172.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -88.79 152.13 21.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.167 1.387 . . . . 0.0 113.993 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.85 153.86 45.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 128.154 2.582 . . . . 0.0 112.538 -175.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.85 -26.41 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.683 1.593 . . . . 0.0 113.679 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -149.27 151.76 34.75 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.122 1.369 . . . . 0.0 111.842 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 p -60.3 -30.47 69.5 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.233 1.013 . . . . 0.0 112.389 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.4 mm -68.72 -42.13 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.246 -0.909 . . . . 0.0 111.145 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -63.59 -40.68 97.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.363 1.065 . . . . 0.0 110.928 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -64.12 -48.67 75.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.276 1.43 . . . . 0.0 111.749 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -56.73 -53.48 57.24 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.404 -0.81 . . . . 0.0 111.117 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.8 m -65.41 -34.36 78.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.892 0.877 . . . . 0.0 113.109 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -54.1 -46.36 72.08 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.299 0.954 . . . . 0.0 111.516 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.02 -41.63 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 118.595 0.634 . . . . 0.0 110.297 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -67.76 -38.19 83.12 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.319 -0.863 . . . . 0.0 112.941 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.9 -30.78 16.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 t -101.28 -36.45 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.37 1.068 . . . . 0.0 112.737 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' CG ' HD12 ' A' ' 12' ' ' LEU . 89.4 m-70 -106.18 -15.68 14.8 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.16 24.04 76.04 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 116.282 1.273 . . . . 0.0 116.282 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.7 104.02 3.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.844 1.322 . . . . 0.0 111.25 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.75 11.59 4.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.065 1.346 . . . . 0.0 114.089 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.418 1.487 . . . . 0.0 112.508 179.496 . . . . . . . . 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 1.631 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -77.12 44.95 0.42 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.049 1.739 . . . . 0.0 112.357 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 m -82.89 -16.99 45.37 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.308 1.843 . . . . 0.0 114.678 -168.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.54 167.46 54.78 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.588 1.09 . . . . 0.0 113.74 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -147.24 -69.32 0.24 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.982 0.913 . . . . 0.0 112.292 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m 53.55 21.98 2.77 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.817 1.647 . . . . 0.0 115.325 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.74 170.96 55.06 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.527 1.061 . . . . 0.0 114.581 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -111.0 144.12 40.6 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.046 1.739 . . . . 0.0 109.81 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -126.54 140.46 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.463 1.029 . . . . 0.0 112.995 -169.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.2 t -59.24 133.47 56.12 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.823 1.649 . . . . 0.0 112.184 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.47 -5.16 57.66 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.677 0.791 . . . . 0.0 112.695 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.98 -52.31 2.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.014 1.326 . . . . 0.0 111.855 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.88 -1.14 16.6 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.276 9.5 mp 59.83 28.15 17.59 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.063 1.745 . . . . 0.0 115.108 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -84.7 141.28 30.69 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.566 1.947 . . . . 0.0 112.436 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -92.8 146.26 23.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.129 1.372 . . . . 0.0 113.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -135.81 156.36 48.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.931 2.492 . . . . 0.0 112.229 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.5 -28.42 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.034 1.334 . . . . 0.0 113.613 -178.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -145.68 162.8 36.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.098 0.959 . . . . 0.0 112.802 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -61.35 -29.82 70.13 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.987 0.915 . . . . 0.0 112.5 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mm -70.9 -44.18 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.256 1.022 . . . . 0.0 111.184 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -66.02 -35.91 81.83 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.715 0.689 . . . . 0.0 111.461 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.99 -50.89 68.97 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.554 1.142 . . . . 0.0 111.246 171.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -58.4 -49.21 78.1 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.291 -0.881 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -59.77 -40.45 88.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.036 0.934 . . . . 0.0 112.344 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.26 -47.04 76.05 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.594 -0.691 . . . . 0.0 111.737 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -61.82 -38.77 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 122.173 -0.329 . . . . 0.0 110.442 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.0 -38.25 69.68 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.247 -0.908 . . . . 0.0 112.391 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.59 -37.79 73.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.922 0.889 . . . . 0.0 113.359 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.67 -29.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -98.86 -13.55 20.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.613 0.642 . . . . 0.0 112.317 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.91 40.46 93.2 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.436 1.493 . . . . 0.0 115.608 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.8 155.17 20.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 122.792 1.282 . . . . 0.0 112.71 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.94 12.45 36.1 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.722 2.009 . . . . 0.0 114.862 -171.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.736 1.614 . . . . 0.0 113.502 -177.594 . . . . . . . . 0 0 . 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 1.593 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -86.11 -5.75 59.15 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -74.02 -18.78 60.8 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -172.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.11 159.9 17.12 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.711 1.148 . . . . 0.0 113.454 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m 54.88 27.93 9.73 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.637 1.575 . . . . 0.0 114.717 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 m -78.37 -10.09 59.54 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -171.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.02 162.53 35.67 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.422 1.487 . . . . 0.0 113.855 -174.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -93.14 140.85 29.07 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.72 1.208 . . . . 0.0 110.357 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.58 140.58 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.124 0.875 . . . . 0.0 112.248 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 t -60.69 133.4 56.06 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.654 1.582 . . . . 0.0 112.156 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -5.55 56.26 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.722 0.809 . . . . 0.0 112.77 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.64 -53.04 2.74 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.98 1.312 . . . . 0.0 111.916 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -108.81 -2.0 18.83 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.275 9.6 mp 59.57 27.43 16.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.101 1.76 . . . . 0.0 114.839 173.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -82.97 141.05 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.796 2.038 . . . . 0.0 112.197 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -93.57 147.18 23.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.102 1.361 . . . . 0.0 113.379 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.25 153.39 51.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.097 2.159 . . . . 0.0 113.043 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.6 -32.16 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.875 1.67 . . . . 0.0 113.245 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -144.34 160.55 40.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.166 0.987 . . . . 0.0 112.499 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 p -61.64 -28.98 69.76 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.628 0.771 . . . . 0.0 112.348 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -44.5 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.944 0.898 . . . . 0.0 110.69 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -62.92 -38.14 89.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.878 0.763 . . . . 0.0 111.061 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.44 -47.91 74.56 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.561 1.145 . . . . 0.0 111.581 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -55.82 -54.29 46.27 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.116 0.871 . . . . 0.0 110.948 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 m -61.29 -35.49 77.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.1 0.96 . . . . 0.0 113.15 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -58.09 -45.33 87.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.115 0.871 . . . . 0.0 111.932 170.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.26 -40.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.989 0.813 . . . . 0.0 110.459 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -67.89 -40.8 83.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.951 0.796 . . . . 0.0 112.318 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.74 -38.74 53.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.839 1.656 . . . . 0.0 113.372 -176.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -106.11 -34.5 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.354 1.061 . . . . 0.0 112.947 -170.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.01 -16.41 14.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.53 32.35 82.91 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.627 1.108 . . . . 0.0 115.303 174.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.88 125.37 22.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.536 1.134 . . . . 0.0 111.383 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.79 9.48 21.6 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.731 1.612 . . . . 0.0 114.653 -174.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.593 1.557 . . . . 0.0 112.735 -178.387 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -79.58 -14.47 58.81 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -174.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 m -67.45 146.96 53.47 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.72 1.208 . . . . 0.0 113.386 -177.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.52 173.04 51.98 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.339 0.971 . . . . 0.0 114.012 174.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -65.18 148.83 50.98 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.555 1.142 . . . . 0.0 113.008 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 p -75.43 157.76 33.64 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.818 1.247 . . . . 0.0 113.16 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.92 160.42 53.98 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.182 0.896 . . . . 0.0 113.693 176.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -86.32 146.43 26.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.914 1.286 . . . . 0.0 110.082 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.9 t -132.69 139.63 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 120.017 1.28 . . . . 0.0 112.58 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 t -60.11 126.94 29.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.554 1.942 . . . . 0.0 111.91 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.47 -5.64 56.91 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.336 -0.853 . . . . 0.0 112.631 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -48.99 4.3 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.037 1.735 . . . . 0.0 110.651 -173.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.1 p -123.96 -1.17 8.35 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.302 9.0 mp 62.11 27.17 16.38 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.938 1.695 . . . . 0.0 115.348 174.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -81.48 140.92 34.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.776 2.03 . . . . 0.0 112.477 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -93.13 146.98 23.26 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.178 1.391 . . . . 0.0 113.377 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.84 152.14 49.93 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.519 2.328 . . . . 0.0 113.042 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.99 -25.7 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.984 1.714 . . . . 0.0 113.774 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t -147.48 150.33 34.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.696 -175.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.9 p -61.15 -30.3 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.001 0.92 . . . . 0.0 112.432 172.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.84 -44.74 88.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.349 0.977 . . . . 0.0 110.425 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -38.88 91.65 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.916 0.886 . . . . 0.0 111.221 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -64.56 -51.72 61.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.583 1.153 . . . . 0.0 111.558 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -57.06 -44.35 82.94 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.212 -0.93 . . . . 0.0 112.172 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 m -76.61 -31.13 57.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.303 1.041 . . . . 0.0 113.433 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -55.0 -42.31 72.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.248 0.931 . . . . 0.0 111.527 171.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.59 -36.07 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.74 -0.6 . . . . 0.0 110.987 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -75.62 -35.45 60.49 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 111.826 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.7 -35.01 45.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.235 1.014 . . . . 0.0 113.246 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.83 -34.37 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.181 0.992 . . . . 0.0 113.204 -170.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -113.4 -9.07 13.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.208 1.003 . . . . 0.0 113.604 -176.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.37 25.71 72.15 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 169.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.24 51.81 0.87 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.085 1.442 . . . . 0.0 114.085 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.66 10.98 3.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.62 1.968 . . . . 0.0 113.81 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.537 1.935 . . . . 0.0 112.752 -179.947 . . . . . . . . 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 1.481 1.688 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -64.9 -14.92 61.2 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -172.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -69.46 -22.02 63.67 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.366 1.466 . . . . 0.0 113.844 171.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.44 13.21 73.91 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.553 1.073 . . . . 0.0 115.248 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -128.02 157.83 39.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.654 1.582 . . . . 0.0 113.081 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -133.6 3.21 3.54 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -173.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.51 175.45 42.07 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.621 1.105 . . . . 0.0 113.299 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -89.25 144.0 26.42 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.008 1.323 . . . . 0.0 109.801 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -125.96 137.78 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.46 1.027 . . . . 0.0 112.596 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 t -64.77 114.02 4.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.625 1.97 . . . . 0.0 111.753 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.46 -8.92 21.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.74 -52.23 4.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.837 2.055 . . . . 0.0 111.069 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -123.14 -1.49 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -173.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.267 53.2 mt 60.97 27.25 17.13 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.998 2.119 . . . . 0.0 115.748 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -86.34 140.2 30.27 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.266 1.827 . . . . 0.0 112.46 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.71 145.73 24.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.087 1.355 . . . . 0.0 113.277 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.5 154.05 51.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.457 2.303 . . . . 0.0 112.77 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.93 -25.45 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 113.886 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -151.32 153.57 35.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.277 1.431 . . . . 0.0 111.494 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.9 p -60.85 -33.11 72.56 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.054 0.941 . . . . 0.0 112.264 173.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.02 -44.23 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.959 0.904 . . . . 0.0 110.644 175.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -65.94 -35.65 81.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.516 1.126 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.45 -49.24 61.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.481 1.112 . . . . 0.0 112.135 170.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.2 -52.44 61.22 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.27 0.941 . . . . 0.0 111.528 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.6 m -64.89 -32.64 74.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.014 0.926 . . . . 0.0 113.24 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.37 -41.65 94.19 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.017 0.826 . . . . 0.0 111.814 170.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.83 -41.41 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 119.368 0.985 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 -65.88 -41.37 91.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.629 -0.669 . . . . 0.0 112.179 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -78.44 -38.25 41.69 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 113.284 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -105.82 -34.42 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.227 1.011 . . . . 0.0 112.969 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -107.4 -15.49 14.61 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.51 31.1 76.38 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.296 0.951 . . . . 0.0 114.895 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.69 -25.98 67.75 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -170.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.58 132.36 12.34 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.776 1.63 . . . . 0.0 109.368 172.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 124.997 1.319 . . . . 0.0 113.831 177.61 . . . . . . . . 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 1.481 1.68 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 51.8 37.82 21.55 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.843 1.257 . . . . 0.0 112.747 -169.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -70.92 146.7 49.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.489 1.516 . . . . 0.0 113.049 -169.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.71 -138.72 44.79 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 123.668 0.652 . . . . 0.0 112.862 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -88.07 -4.55 58.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.167 1.387 . . . . 0.0 114.478 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -70.77 148.48 47.88 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.622 1.169 . . . . 0.0 113.596 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.32 127.56 2.45 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.215 1.388 . . . . 0.0 113.573 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -131.8 154.97 48.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.199 1.8 . . . . 0.0 110.746 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 t -133.49 139.29 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.869 0.867 . . . . 0.0 111.673 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.0 t -65.09 118.38 9.08 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.083 1.753 . . . . 0.0 111.631 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.18 -7.55 42.7 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.33 -52.14 4.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.569 1.948 . . . . 0.0 110.716 -174.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -122.61 -0.93 9.09 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -174.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.278 3.1 mm? 63.04 21.06 12.68 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.663 1.985 . . . . 0.0 115.466 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -75.11 142.44 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -88.49 150.68 22.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.975 1.31 . . . . 0.0 114.044 175.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -141.01 154.53 46.05 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.898 2.479 . . . . 0.0 112.632 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -72.23 -35.21 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.74 1.216 . . . . 0.0 113.207 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -141.39 161.76 37.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.449 1.1 . . . . 0.0 112.738 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 p -61.39 -32.99 72.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.637 0.775 . . . . 0.0 112.111 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.67 -46.76 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.99 0.916 . . . . 0.0 111.392 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -62.96 -35.88 81.62 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.416 0.553 . . . . 0.0 111.419 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.38 -47.32 61.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.307 1.043 . . . . 0.0 112.535 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -54.59 -50.84 67.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.117 -0.99 . . . . 0.0 111.849 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -70.7 -31.4 68.26 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.932 0.893 . . . . 0.0 112.962 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -58.3 -43.06 87.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.47 1.032 . . . . 0.0 111.123 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.83 -38.62 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.778 0.717 . . . . 0.0 110.463 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -71.15 -39.13 72.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.372 -0.83 . . . . 0.0 112.77 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.84 -34.48 51.86 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -108.96 -33.82 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.238 1.015 . . . . 0.0 113.208 -169.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -111.18 -12.23 14.15 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.94 28.59 73.79 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.914 1.245 . . . . 0.0 115.931 171.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.75 137.48 58.25 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.558 1.179 . . . . 0.0 112.074 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.56 8.34 12.05 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.114 1.766 . . . . 0.0 114.789 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.251 1.137 0 C-N-CA 126.117 1.767 . . . . 0.0 111.695 178.207 . . . . . . . . 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 1.48 1.587 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p -77.8 163.15 26.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.824 1.25 . . . . 0.0 113.329 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -123.38 155.69 36.87 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.592 1.557 . . . . 0.0 111.882 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.55 157.66 52.89 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.224 0.916 . . . . 0.0 114.209 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 p -85.69 -1.66 57.4 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.492 1.517 . . . . 0.0 114.653 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -147.46 156.38 42.81 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.965 1.706 . . . . 0.0 111.422 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.51 118.71 0.67 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.349 1.452 . . . . 0.0 113.228 -176.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -133.24 149.6 51.98 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.124 1.77 . . . . 0.0 110.166 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.57 139.13 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.497 1.044 . . . . 0.0 111.994 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 23' ' ' LEU . 33.7 t -59.74 135.94 57.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.618 1.567 . . . . 0.0 111.804 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 -6.87 59.51 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.795 0.838 . . . . 0.0 112.639 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.75 -54.47 2.55 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.843 1.257 . . . . 0.0 111.863 -171.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.8 p -106.3 -1.19 23.7 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 mt 61.17 22.27 12.6 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.194 1.798 . . . . 0.0 115.448 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -78.3 141.27 38.61 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.007 1.723 . . . . 0.0 112.97 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.45 150.24 23.9 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.265 1.426 . . . . 0.0 113.901 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -139.95 154.73 47.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.38 2.672 . . . . 0.0 112.385 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.91 -30.25 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.356 1.463 . . . . 0.0 113.555 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -147.12 151.1 36.27 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.132 1.373 . . . . 0.0 111.58 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.1 p -59.04 -31.9 69.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.007 0.923 . . . . 0.0 112.15 172.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.04 -43.38 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.854 0.862 . . . . 0.0 111.365 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -62.56 -40.66 97.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.266 1.027 . . . . 0.0 110.915 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 10' ' ' CYS . 23.8 tp -66.3 -48.22 71.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.314 1.045 . . . . 0.0 111.739 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -58.04 -45.94 86.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.143 -0.973 . . . . 0.0 111.494 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 t -67.21 -35.61 79.96 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.889 0.876 . . . . 0.0 112.726 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -56.83 -45.99 81.98 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.373 -0.829 . . . . 0.0 111.586 170.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.86 -33.45 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 110.399 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -77.25 -34.5 55.79 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.851 -1.156 . . . . 0.0 113.404 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -74.37 -33.81 63.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.921 1.688 . . . . 0.0 113.628 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 p -131.3 -25.23 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.75 -12.95 21.7 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.86 33.63 60.38 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.616 1.579 . . . . 0.0 116.356 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.73 158.17 32.95 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 122.926 1.346 . . . . 0.0 112.818 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.13 125.31 10.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.147 2.179 . . . . 0.0 110.051 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.48 1.912 . . . . 0.0 112.752 179.206 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 . . . . . 0 N--CA 1.472 0.648 0 CA-C-O 119.564 -0.255 . . . . 0.0 110.795 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.08 140.23 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.105 0.866 . . . . 0.0 112.687 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.23 135.35 57.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.916 1.686 . . . . 0.0 111.695 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -5.99 59.15 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.829 0.852 . . . . 0.0 112.745 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.88 -54.35 2.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.846 1.258 . . . . 0.0 111.87 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 p -106.86 -0.28 23.41 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 mt 60.63 23.21 13.01 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.18 1.792 . . . . 0.0 115.49 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -80.91 141.03 34.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.546 1.938 . . . . 0.0 112.556 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -96.83 148.59 22.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.925 1.29 . . . . 0.0 113.459 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -138.89 153.1 48.25 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.317 2.247 . . . . 0.0 112.028 -173.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.27 -23.62 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.404 1.082 . . . . 0.0 113.701 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.03 162.23 39.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.204 1.001 . . . . 0.0 112.979 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 p -64.58 -32.67 74.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.463 172.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.1 mm -66.43 -45.86 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.199 0.909 . . . . 0.0 110.732 172.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.9 -34.0 76.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.909 0.484 . . . . 0.0 111.598 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.52 -53.68 26.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.28 1.032 . . . . 0.0 111.818 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -55.12 -46.7 75.6 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.277 -0.89 . . . . 0.0 112.167 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.7 m -71.74 -34.48 69.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.379 1.072 . . . . 0.0 113.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.07 -45.39 68.11 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.538 1.063 . . . . 0.0 111.712 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.08 -37.58 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 122.744 0.418 . . . . 0.0 110.393 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -75.29 -35.15 61.33 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.337 -0.852 . . . . 0.0 111.898 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.39 -39.27 81.75 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.039 0.936 . . . . 0.0 112.895 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.88 -27.37 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -170.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -101.09 -12.06 19.12 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.26 0.624 . . . . 0.0 112.164 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.37 0 C-N-CA 125.706 1.622 . . . . 0.0 116.24 173.116 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.426 0.158 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.01 139.85 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.169 0.988 . . . . 0.0 111.226 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -62.85 124.82 22.04 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.172 1.389 . . . . 0.0 111.872 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.83 -6.14 39.43 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.0 -54.61 2.51 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.137 1.375 . . . . 0.0 111.889 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -107.15 -0.77 22.54 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.253 3.4 mm? 60.51 20.6 10.36 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.207 1.803 . . . . 0.0 115.056 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -72.42 141.0 48.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.064 1.345 . . . . 0.0 112.091 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -89.77 151.99 21.53 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.314 1.446 . . . . 0.0 113.826 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -141.75 153.26 44.48 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 127.466 2.306 . . . . 0.0 112.932 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.88 -30.82 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.453 1.501 . . . . 0.0 113.42 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 t -147.97 153.03 38.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.871 1.268 . . . . 0.0 111.307 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -62.02 -30.38 70.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.932 0.893 . . . . 0.0 112.575 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.04 -41.99 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 119.4 1.0 . . . . 0.0 110.775 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -60.29 -41.99 94.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 111.048 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 tp -69.99 -46.9 64.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.832 1.253 . . . . 0.0 112.276 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -55.64 -43.77 76.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.085 0.954 . . . . 0.0 111.984 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -77.77 -32.14 52.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.334 1.054 . . . . 0.0 113.387 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -55.18 -43.42 74.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.348 0.976 . . . . 0.0 111.77 171.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.47 -37.37 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 121.742 -0.599 . . . . 0.0 110.491 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -74.2 -35.9 63.97 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.109 -0.994 . . . . 0.0 111.901 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.93 -33.98 44.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.304 1.042 . . . . 0.0 113.435 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -109.54 -33.46 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.202 1.001 . . . . 0.0 113.111 -170.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -113.38 -10.91 13.22 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 C-N-CA 125.249 1.404 . . . . 0.0 116.443 171.37 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 N--CA 1.47 0.544 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -133.85 138.98 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.467 -0.77 . . . . 0.0 111.651 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 t -58.98 135.08 57.5 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.485 1.514 . . . . 0.0 111.522 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -6.7 59.52 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.796 0.838 . . . . 0.0 112.602 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -108.55 -53.28 2.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.922 1.289 . . . . 0.0 111.728 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.98 -0.26 19.68 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.0 mt 61.23 21.98 12.37 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 126.004 1.722 . . . . 0.0 115.447 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.24 140.44 38.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.286 1.834 . . . . 0.0 112.594 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -95.14 149.27 21.47 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.312 1.445 . . . . 0.0 113.63 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -141.75 152.98 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.609 2.364 . . . . 0.0 112.452 -173.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.39 -33.62 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.809 1.243 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -144.31 157.73 44.12 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.142 1.377 . . . . 0.0 111.927 -173.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -59.58 -39.88 85.55 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.183 0.993 . . . . 0.0 112.861 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.54 -41.89 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.36 1.064 . . . . 0.0 111.761 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -61.78 -41.4 97.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.521 1.128 . . . . 0.0 110.861 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.88 -48.4 63.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.269 1.028 . . . . 0.0 112.09 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -54.62 -50.34 68.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.832 0.853 . . . . 0.0 111.323 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.5 m -67.1 -36.3 81.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.778 0.831 . . . . 0.0 112.92 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -54.26 -46.5 72.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.666 1.121 . . . . 0.0 111.684 170.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.03 -40.76 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 122.024 -0.422 . . . . 0.0 110.254 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -70.1 -38.77 75.72 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.415 -0.803 . . . . 0.0 112.413 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -67.4 -41.76 84.43 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.25 1.02 . . . . 0.0 113.142 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.16 -27.61 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -100.33 -14.28 18.45 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.369 0.532 . . . . 0.0 112.009 176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.276 0 C-N-CA 125.29 1.424 . . . . 0.0 115.518 175.806 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 . . . . . 0 N--CA 1.469 0.5 0 CA-C-O 119.154 -0.45 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.91 138.88 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.39 0.995 . . . . 0.0 113.014 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -58.21 135.6 57.13 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.795 1.638 . . . . 0.0 111.65 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.62 -6.12 59.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.836 0.854 . . . . 0.0 112.742 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.12 -53.96 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.836 1.255 . . . . 0.0 111.817 -171.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.54 0.15 22.49 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 mt 60.83 23.46 13.46 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 115.536 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -81.65 140.93 34.1 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.438 1.895 . . . . 0.0 112.666 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -95.61 146.54 24.4 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.413 1.485 . . . . 0.0 113.279 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -136.1 153.78 51.2 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.187 2.195 . . . . 0.0 112.899 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.51 -26.56 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.543 1.537 . . . . 0.0 113.888 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -148.85 152.91 37.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.566 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 p -59.52 -30.28 68.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.997 0.919 . . . . 0.0 112.142 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mm -66.97 -42.98 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.971 0.908 . . . . 0.0 111.434 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mmm-85 -63.79 -39.44 94.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 111.248 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.09 -50.73 67.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.719 1.208 . . . . 0.0 111.316 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -58.69 -43.9 90.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.415 -0.803 . . . . 0.0 111.878 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -70.7 -37.87 73.63 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.993 0.917 . . . . 0.0 112.988 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -52.61 -45.53 66.62 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.905 0.882 . . . . 0.0 111.907 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.26 -36.52 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 122.758 0.423 . . . . 0.0 110.487 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -75.04 -36.56 61.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.143 -0.973 . . . . 0.0 111.592 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.94 -36.8 72.76 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.275 1.03 . . . . 0.0 113.156 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.76 -28.65 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -174.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -100.36 -11.68 20.07 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.643 0.656 . . . . 0.0 112.42 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.255 0 C-N-CA 125.741 1.638 . . . . 0.0 116.48 172.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 119.135 -0.459 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -123.41 137.67 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 119.17 0.895 . . . . 0.0 112.49 -171.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.63 123.34 18.59 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.424 1.49 . . . . 0.0 111.685 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.0 -6.22 40.57 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.37 -52.9 2.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.237 1.415 . . . . 0.0 111.793 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -109.98 0.73 18.65 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.254 3.3 mm? 61.16 21.88 12.25 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.196 1.798 . . . . 0.0 115.129 174.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -80.13 139.46 36.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.674 1.589 . . . . 0.0 112.42 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -88.04 150.73 23.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.773 1.229 . . . . 0.0 113.616 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -136.14 155.13 50.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.465 2.706 . . . . 0.0 111.83 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.46 -29.94 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.119 1.368 . . . . 0.0 113.465 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 t -147.88 152.98 38.51 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.104 1.362 . . . . 0.0 111.425 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 t -55.64 -34.7 65.17 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.325 1.05 . . . . 0.0 111.563 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.08 -39.83 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.021 -1.049 . . . . 0.0 111.206 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -62.84 -40.45 97.48 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.237 0.615 . . . . 0.0 111.135 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.92 -45.37 78.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.412 1.085 . . . . 0.0 111.978 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -54.3 -52.88 60.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 111.091 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -68.22 -34.03 75.5 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.65 0.78 . . . . 0.0 112.969 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -55.09 -44.89 75.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.557 1.071 . . . . 0.0 111.588 169.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.27 -41.22 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.794 0.725 . . . . 0.0 110.282 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -69.0 -39.11 79.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.407 -0.808 . . . . 0.0 112.566 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.34 -35.6 47.33 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.58 -27.95 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.109 0.964 . . . . 0.0 113.538 -167.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -112.83 -15.19 12.97 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 115.766 173.688 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 119.094 -0.479 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.15 139.75 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.579 1.082 . . . . 0.0 112.466 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.53 134.22 56.86 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.806 1.642 . . . . 0.0 112.365 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.62 -6.16 57.91 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.698 0.799 . . . . 0.0 112.769 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.2 -52.83 2.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.995 1.318 . . . . 0.0 111.876 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.9 -2.8 16.97 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.2 mp 59.74 27.5 16.78 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.09 1.756 . . . . 0.0 115.025 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -79.86 142.06 35.57 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.691 1.997 . . . . 0.0 112.268 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -96.56 146.9 24.4 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.425 1.49 . . . . 0.0 113.499 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -138.18 152.51 48.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.179 2.192 . . . . 0.0 113.197 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.69 -30.88 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.212 1.805 . . . . 0.0 113.608 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -148.77 152.67 36.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.837 1.255 . . . . 0.0 111.436 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 p -57.83 -29.73 65.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.396 1.078 . . . . 0.0 112.56 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.53 -43.91 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.92 0.888 . . . . 0.0 111.595 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -64.63 -40.15 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.994 0.918 . . . . 0.0 110.779 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.41 -48.25 76.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.588 1.155 . . . . 0.0 111.344 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -58.05 -50.44 73.43 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.443 -0.786 . . . . 0.0 111.015 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -63.65 -36.56 84.23 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.474 0.71 . . . . 0.0 112.74 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.98 -44.85 78.93 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.387 -0.82 . . . . 0.0 111.727 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.61 -42.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.921 0.782 . . . . 0.0 110.274 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -66.49 -40.46 89.31 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.594 -0.691 . . . . 0.0 112.584 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -79.77 -34.75 39.51 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -107.72 -32.87 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.166 0.986 . . . . 0.0 113.02 -169.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -109.63 -15.48 14.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.273 0 N-CA-C 116.009 1.164 . . . . 0.0 116.009 172.501 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 . . . . . 0 N--CA 1.474 0.749 0 CA-C-O 119.387 -0.34 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.3 t -128.37 139.2 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.101 0.864 . . . . 0.0 112.079 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.18 121.38 14.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.491 1.516 . . . . 0.0 111.7 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -6.58 41.6 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.58 -51.24 3.24 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.229 1.411 . . . . 0.0 111.599 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.48 0.69 14.79 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.256 3.3 mm? 61.4 22.12 12.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.328 1.851 . . . . 0.0 115.027 175.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -79.73 139.2 37.4 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.984 1.714 . . . . 0.0 112.268 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -95.56 148.09 22.87 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.864 1.266 . . . . 0.0 113.328 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.64 154.05 49.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.319 2.248 . . . . 0.0 112.628 -174.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.82 -28.51 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.84 1.656 . . . . 0.0 113.671 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 t -150.28 151.17 32.55 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.278 1.431 . . . . 0.0 111.372 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -60.69 -30.28 69.84 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.136 0.974 . . . . 0.0 112.318 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.36 -46.65 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.431 1.014 . . . . 0.0 110.505 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.89 -37.23 86.65 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.608 0.763 . . . . 0.0 111.182 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.2 -46.94 72.39 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.87 0.868 . . . . 0.0 112.024 173.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -56.87 -50.16 73.32 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.203 -0.935 . . . . 0.0 111.147 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.5 m -67.27 -35.39 79.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.319 1.048 . . . . 0.0 112.821 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -55.09 -46.41 75.49 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.201 0.909 . . . . 0.0 111.19 169.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.21 -40.85 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.691 -0.631 . . . . 0.0 110.379 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -68.77 -38.87 80.33 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.02 0.827 . . . . 0.0 112.945 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.49 -29.75 21.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.5 -37.49 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.22 1.008 . . . . 0.0 112.907 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -108.13 -14.65 14.68 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.294 0 C-N-CA 124.652 1.12 . . . . 0.0 115.694 173.774 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 119.694 -0.194 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.18 139.35 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.768 0.827 . . . . 0.0 111.448 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.21 123.49 18.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.566 1.546 . . . . 0.0 111.9 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -6.97 45.03 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.41 -52.38 2.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.245 1.418 . . . . 0.0 111.761 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.0 p -111.88 1.07 16.34 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.255 3.3 mm? 60.35 24.36 13.86 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.085 1.754 . . . . 0.0 114.918 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -83.28 139.92 32.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.537 1.935 . . . . 0.0 112.232 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -95.44 147.98 22.96 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.962 1.305 . . . . 0.0 113.666 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.83 153.65 45.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.417 2.287 . . . . 0.0 112.354 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.34 -37.89 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.95 1.3 . . . . 0.0 113.327 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.3 m -145.32 157.29 44.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.231 1.413 . . . . 0.0 111.317 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -56.39 -37.56 70.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.466 1.107 . . . . 0.0 113.201 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -59.74 -44.97 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.301 1.041 . . . . 0.0 112.004 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.201 0.6 . . . . 0.0 111.105 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.9 -48.55 68.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.537 0.735 . . . . 0.0 111.674 171.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -56.09 -53.02 62.01 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.458 1.026 . . . . 0.0 111.303 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.3 m -59.82 -35.95 75.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.766 0.826 . . . . 0.0 113.149 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -58.85 -45.3 90.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.569 1.077 . . . . 0.0 111.821 169.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.84 -42.15 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.998 0.817 . . . . 0.0 110.347 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -64.79 -42.72 94.83 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.992 0.815 . . . . 0.0 112.735 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.77 -34.19 52.4 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 t -108.13 -33.12 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.923 0.889 . . . . 0.0 113.118 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -110.94 -13.99 14.03 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.26 0 C-N-CA 124.252 0.929 . . . . 0.0 115.364 172.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 119.646 -0.216 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.54 139.28 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.841 0.746 . . . . 0.0 111.786 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.0 t -61.66 124.16 19.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.6 1.56 . . . . 0.0 111.962 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.24 47.99 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.03 -52.26 2.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.157 1.383 . . . . 0.0 111.819 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.5 p -112.74 1.12 15.52 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.257 3.4 mm? 60.48 23.59 13.23 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.006 1.722 . . . . 0.0 114.819 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.94 139.81 36.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.135 1.774 . . . . 0.0 112.209 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -97.65 148.57 23.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.194 1.397 . . . . 0.0 113.694 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -141.52 152.38 44.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.144 2.178 . . . . 0.0 112.78 -172.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -71.57 -31.4 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.556 1.543 . . . . 0.0 113.762 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -150.96 155.13 38.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.594 1.558 . . . . 0.0 110.228 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.4 p -59.26 -29.82 67.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.71 -44.23 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.063 0.945 . . . . 0.0 111.941 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -69.15 -34.62 75.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.527 0.731 . . . . 0.0 110.99 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.05 -46.03 68.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.209 1.003 . . . . 0.0 112.345 172.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -54.96 -52.25 63.62 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.369 0.986 . . . . 0.0 110.659 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -68.93 -32.54 72.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.46 -47.44 76.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.652 1.114 . . . . 0.0 111.396 170.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.38 -42.66 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 118.071 0.396 . . . . 0.0 110.141 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -67.24 -39.33 86.17 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.697 -0.627 . . . . 0.0 112.366 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.41 -38.16 68.46 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.08 -29.88 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -99.22 -14.77 19.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.396 0.544 . . . . 0.0 112.028 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.404 0 C-N-CA 124.914 1.245 . . . . 0.0 116.011 172.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.472 0.627 0 CA-C-O 119.378 -0.344 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 t -133.22 141.17 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.326 0.967 . . . . 0.0 112.395 -172.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.8 t -57.69 135.64 56.77 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.878 1.671 . . . . 0.0 112.156 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.01 -5.82 59.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.842 0.857 . . . . 0.0 112.909 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -111.97 -53.02 2.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.984 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 p -109.71 -2.39 17.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.8 mp 60.18 26.49 15.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.168 1.787 . . . . 0.0 115.043 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -77.57 140.8 39.75 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.173 1.789 . . . . 0.0 112.336 170.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -95.88 149.47 21.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 113.495 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.01 154.05 45.83 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.398 2.279 . . . . 0.0 112.923 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.93 -30.23 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.088 1.355 . . . . 0.0 113.613 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -142.5 161.64 37.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.469 1.108 . . . . 0.0 112.38 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.5 p -68.05 -19.49 64.89 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 172.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.57 -45.33 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.903 -1.123 . . . . 0.0 109.923 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -62.09 -36.23 81.09 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.485 0.584 . . . . 0.0 111.497 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 tp -65.09 -50.14 67.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.658 1.183 . . . . 0.0 111.468 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -54.54 -47.92 72.63 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.422 1.01 . . . . 0.0 112.101 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.2 m -73.71 -33.0 64.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.098 0.959 . . . . 0.0 113.286 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -52.65 -46.48 67.16 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.096 0.862 . . . . 0.0 111.695 172.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.71 -37.58 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 122.725 0.41 . . . . 0.0 110.485 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -74.49 -35.22 63.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.123 -0.986 . . . . 0.0 112.058 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.45 -37.6 71.37 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.09 0.956 . . . . 0.0 113.219 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 m -121.43 -28.26 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -100.6 -10.75 20.66 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.265 0.626 . . . . 0.0 112.384 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.145 0 C-N-CA 125.619 1.581 . . . . 0.0 116.612 170.907 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 119.281 -0.39 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.73 139.93 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 119.295 0.952 . . . . 0.0 112.943 -171.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.14 121.75 13.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.059 1.744 . . . . 0.0 111.942 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.45 43.54 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -105.31 -50.85 3.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.178 1.391 . . . . 0.0 111.737 -174.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.24 2.5 14.83 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.23 29.72 19.25 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.105 1.762 . . . . 0.0 114.723 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.43 140.71 29.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.703 2.001 . . . . 0.0 112.196 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -92.88 147.3 22.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.744 1.217 . . . . 0.0 113.321 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.972 2.109 . . . . 0.0 112.551 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.85 -27.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.906 1.682 . . . . 0.0 114.176 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 t -147.98 151.49 35.86 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.44 1.496 . . . . 0.0 110.812 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 p -64.43 -22.9 67.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.119 0.567 . . . . 0.0 112.09 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mm -69.64 -39.7 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 120.864 -1.147 . . . . 0.0 111.326 171.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.99 -31.53 63.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.0 0.92 . . . . 0.0 111.645 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 tp -63.94 -49.4 72.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.039 0.936 . . . . 0.0 110.503 168.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -54.22 -52.14 62.23 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.111 0.869 . . . . 0.0 111.134 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m -63.21 -40.38 97.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.872 1.269 . . . . 0.0 112.426 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -52.81 -46.87 67.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.157 0.983 . . . . 0.0 111.785 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.7 -39.7 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.429 0.292 . . . . 0.0 110.214 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -70.09 -39.35 75.63 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.417 -0.802 . . . . 0.0 111.907 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.15 -40.66 86.71 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.455 1.102 . . . . 0.0 113.102 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -122.06 -27.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.27 -11.92 19.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.045 0.538 . . . . 0.0 112.137 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.327 0 C-N-CA 125.315 1.436 . . . . 0.0 116.382 171.311 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 . . . . . 0 N--CA 1.47 0.55 0 CA-C-O 119.402 -0.333 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 t -118.7 137.24 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.799 0.727 . . . . 0.0 112.652 -170.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.1 122.46 16.64 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.497 1.519 . . . . 0.0 111.681 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.89 -6.96 45.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -103.25 -50.78 3.39 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.26 1.424 . . . . 0.0 111.55 -174.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.27 2.46 14.79 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.71 27.55 17.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.172 1.789 . . . . 0.0 114.822 172.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -93.51 139.3 30.89 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.571 1.948 . . . . 0.0 112.376 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -92.2 144.87 24.98 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.927 1.291 . . . . 0.0 113.154 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.48 153.27 51.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.314 2.246 . . . . 0.0 112.28 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.55 -23.63 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 125.384 1.474 . . . . 0.0 114.217 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 t -150.18 153.5 36.39 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.196 1.398 . . . . 0.0 111.578 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -60.49 -31.93 70.95 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.013 0.925 . . . . 0.0 112.008 172.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.4 mm -68.97 -40.7 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.053 0.941 . . . . 0.0 111.308 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -65.55 -39.4 91.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.29 1.036 . . . . 0.0 111.101 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -64.84 -48.44 74.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.231 1.013 . . . . 0.0 111.513 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -57.6 -48.87 78.21 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.403 -0.81 . . . . 0.0 111.133 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 t -58.44 -41.68 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.99 0.916 . . . . 0.0 112.352 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -56.57 -46.16 80.91 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.596 -0.69 . . . . 0.0 111.743 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.38 -41.0 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 118.12 0.418 . . . . 0.0 110.349 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -69.4 -39.18 78.11 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.947 0.794 . . . . 0.0 112.299 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.2 -38.74 72.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.985 0.914 . . . . 0.0 113.413 -175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.77 -29.88 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -173.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -99.05 -13.92 19.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.573 0.624 . . . . 0.0 112.04 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.228 0 C-N-CA 125.327 1.441 . . . . 0.0 115.768 173.323 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 111.354 0.131 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.16 141.38 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.92 0.888 . . . . 0.0 111.346 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.4 t -58.95 136.01 57.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.619 1.567 . . . . 0.0 112.226 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.81 -6.54 59.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.805 0.842 . . . . 0.0 112.729 175.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -110.24 -53.11 2.72 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.873 1.269 . . . . 0.0 111.849 -172.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 p -109.74 -3.2 16.9 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.281 9.6 mp 60.32 26.38 15.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.158 1.783 . . . . 0.0 115.0 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -77.22 141.15 40.19 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.202 1.801 . . . . 0.0 112.343 169.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -95.84 148.55 22.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.288 1.435 . . . . 0.0 113.724 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -141.25 154.65 45.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.166 2.186 . . . . 0.0 113.141 -173.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.58 -27.75 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.596 1.559 . . . . 0.0 113.474 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -148.78 151.66 35.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.164 1.386 . . . . 0.0 111.521 -174.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.7 p -60.09 -29.07 68.33 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.049 0.94 . . . . 0.0 112.238 172.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.2 mm -67.28 -44.0 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.933 0.893 . . . . 0.0 111.26 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.9 mmm-85 -62.43 -40.25 95.96 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.892 0.877 . . . . 0.0 110.988 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.7 tp -67.5 -45.75 74.93 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.258 1.023 . . . . 0.0 111.844 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -55.0 -52.55 62.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.163 0.892 . . . . 0.0 111.123 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 m -63.43 -35.73 81.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.917 0.887 . . . . 0.0 112.881 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -57.64 -45.71 85.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.319 0.963 . . . . 0.0 111.733 169.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.63 -41.0 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 118.919 0.781 . . . . 0.0 110.358 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -68.85 -39.58 79.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.153 0.888 . . . . 0.0 112.679 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -79.24 -34.38 42.76 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.21 -32.98 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.284 1.033 . . . . 0.0 113.081 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -109.13 -15.89 14.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 C-N-CA 124.784 1.183 . . . . 0.0 115.519 172.36 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 119.277 -0.392 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t -133.49 141.08 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.604 1.093 . . . . 0.0 112.315 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 t -58.81 136.39 57.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.276 1.43 . . . . 0.0 111.429 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.74 -8.49 58.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.646 0.779 . . . . 0.0 112.482 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.521 HD12 ' CG ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -105.62 -52.21 2.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.638 0.775 . . . . 0.0 111.867 -175.415 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -109.37 0.2 19.33 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt 61.58 20.42 11.24 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.269 1.828 . . . . 0.0 115.889 173.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -74.6 142.13 44.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.749 1.62 . . . . 0.0 112.641 172.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -88.79 152.13 21.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.167 1.387 . . . . 0.0 113.993 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.85 153.86 45.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 128.154 2.582 . . . . 0.0 112.538 -175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.85 -26.41 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.683 1.593 . . . . 0.0 113.679 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -149.27 151.76 34.75 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.122 1.369 . . . . 0.0 111.842 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 p -60.3 -30.47 69.5 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.233 1.013 . . . . 0.0 112.389 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.4 mm -68.72 -42.13 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.246 -0.909 . . . . 0.0 111.145 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -63.59 -40.68 97.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.363 1.065 . . . . 0.0 110.928 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -64.12 -48.67 75.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.276 1.43 . . . . 0.0 111.749 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -56.73 -53.48 57.24 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.404 -0.81 . . . . 0.0 111.117 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.8 m -65.41 -34.36 78.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.892 0.877 . . . . 0.0 113.109 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -54.1 -46.36 72.08 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.299 0.954 . . . . 0.0 111.516 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.02 -41.63 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 118.595 0.634 . . . . 0.0 110.297 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -67.76 -38.19 83.12 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.319 -0.863 . . . . 0.0 112.941 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.9 -30.78 16.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 t -101.28 -36.45 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.37 1.068 . . . . 0.0 112.737 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.521 ' CG ' HD12 ' A' ' 12' ' ' LEU . 89.4 m-70 -106.18 -15.68 14.8 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.109 0 N-CA-C 116.282 1.273 . . . . 0.0 116.282 172.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -126.54 140.46 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.463 1.029 . . . . 0.0 112.995 -169.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.2 t -59.24 133.47 56.12 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.823 1.649 . . . . 0.0 112.184 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.47 -5.16 57.66 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.677 0.791 . . . . 0.0 112.695 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.98 -52.31 2.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.014 1.326 . . . . 0.0 111.855 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.88 -1.14 16.6 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.276 9.5 mp 59.83 28.15 17.59 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.063 1.745 . . . . 0.0 115.108 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -84.7 141.28 30.69 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.566 1.947 . . . . 0.0 112.436 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -92.8 146.26 23.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.129 1.372 . . . . 0.0 113.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -135.81 156.36 48.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.931 2.492 . . . . 0.0 112.229 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.5 -28.42 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.034 1.334 . . . . 0.0 113.613 -178.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -145.68 162.8 36.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.098 0.959 . . . . 0.0 112.802 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -61.35 -29.82 70.13 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.987 0.915 . . . . 0.0 112.5 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mm -70.9 -44.18 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.256 1.022 . . . . 0.0 111.184 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -66.02 -35.91 81.83 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.715 0.689 . . . . 0.0 111.461 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.99 -50.89 68.97 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.554 1.142 . . . . 0.0 111.246 171.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -58.4 -49.21 78.1 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.291 -0.881 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -59.77 -40.45 88.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.036 0.934 . . . . 0.0 112.344 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.26 -47.04 76.05 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.594 -0.691 . . . . 0.0 111.737 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -61.82 -38.77 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 122.173 -0.329 . . . . 0.0 110.442 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.0 -38.25 69.68 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.247 -0.908 . . . . 0.0 112.391 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.59 -37.79 73.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.922 0.889 . . . . 0.0 113.359 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.67 -29.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -98.86 -13.55 20.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.613 0.642 . . . . 0.0 112.317 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.226 0 C-N-CA 125.436 1.493 . . . . 0.0 115.608 173.349 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 119.252 -0.404 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.58 140.58 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.124 0.875 . . . . 0.0 112.248 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 t -60.69 133.4 56.06 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.654 1.582 . . . . 0.0 112.156 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -5.55 56.26 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.722 0.809 . . . . 0.0 112.77 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.64 -53.04 2.74 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.98 1.312 . . . . 0.0 111.916 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -108.81 -2.0 18.83 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.275 9.6 mp 59.57 27.43 16.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.101 1.76 . . . . 0.0 114.839 173.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -82.97 141.05 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.796 2.038 . . . . 0.0 112.197 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -93.57 147.18 23.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.102 1.361 . . . . 0.0 113.379 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.25 153.39 51.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.097 2.159 . . . . 0.0 113.043 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.6 -32.16 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.875 1.67 . . . . 0.0 113.245 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -144.34 160.55 40.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.166 0.987 . . . . 0.0 112.499 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 p -61.64 -28.98 69.76 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.628 0.771 . . . . 0.0 112.348 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -44.5 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.944 0.898 . . . . 0.0 110.69 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -62.92 -38.14 89.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.878 0.763 . . . . 0.0 111.061 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.44 -47.91 74.56 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.561 1.145 . . . . 0.0 111.581 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -55.82 -54.29 46.27 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.116 0.871 . . . . 0.0 110.948 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 m -61.29 -35.49 77.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.1 0.96 . . . . 0.0 113.15 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -58.09 -45.33 87.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.115 0.871 . . . . 0.0 111.932 170.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.26 -40.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.989 0.813 . . . . 0.0 110.459 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -67.89 -40.8 83.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.951 0.796 . . . . 0.0 112.318 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.74 -38.74 53.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.839 1.656 . . . . 0.0 113.372 -176.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -106.11 -34.5 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.354 1.061 . . . . 0.0 112.947 -170.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.01 -16.41 14.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.327 0 C-N-CA 124.627 1.108 . . . . 0.0 115.303 174.286 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.082 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.9 t -132.69 139.63 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 120.017 1.28 . . . . 0.0 112.58 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 t -60.11 126.94 29.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.554 1.942 . . . . 0.0 111.91 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.47 -5.64 56.91 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.336 -0.853 . . . . 0.0 112.631 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -48.99 4.3 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.037 1.735 . . . . 0.0 110.651 -173.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.1 p -123.96 -1.17 8.35 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.302 9.0 mp 62.11 27.17 16.38 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.938 1.695 . . . . 0.0 115.348 174.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -81.48 140.92 34.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.776 2.03 . . . . 0.0 112.477 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -93.13 146.98 23.26 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.178 1.391 . . . . 0.0 113.377 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.84 152.14 49.93 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.519 2.328 . . . . 0.0 113.042 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.99 -25.7 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.984 1.714 . . . . 0.0 113.774 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t -147.48 150.33 34.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.696 -175.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.9 p -61.15 -30.3 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.001 0.92 . . . . 0.0 112.432 172.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.84 -44.74 88.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.349 0.977 . . . . 0.0 110.425 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -38.88 91.65 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.916 0.886 . . . . 0.0 111.221 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -64.56 -51.72 61.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.583 1.153 . . . . 0.0 111.558 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -57.06 -44.35 82.94 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.212 -0.93 . . . . 0.0 112.172 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 m -76.61 -31.13 57.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.303 1.041 . . . . 0.0 113.433 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -55.0 -42.31 72.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.248 0.931 . . . . 0.0 111.527 171.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.59 -36.07 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.74 -0.6 . . . . 0.0 110.987 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -75.62 -35.45 60.49 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 111.826 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.7 -35.01 45.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.235 1.014 . . . . 0.0 113.246 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.83 -34.37 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.181 0.992 . . . . 0.0 113.204 -170.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -113.4 -9.07 13.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.208 1.003 . . . . 0.0 113.604 -176.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.145 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 169.894 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 . . . . . 0 N--CA 1.471 0.601 0 CA-C-O 119.124 -0.465 . . . . 0.0 109.801 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -125.96 137.78 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.46 1.027 . . . . 0.0 112.596 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 t -64.77 114.02 4.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.625 1.97 . . . . 0.0 111.753 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.46 -8.92 21.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.74 -52.23 4.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.837 2.055 . . . . 0.0 111.069 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -123.14 -1.49 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -173.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.267 53.2 mt 60.97 27.25 17.13 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.998 2.119 . . . . 0.0 115.748 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -86.34 140.2 30.27 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.266 1.827 . . . . 0.0 112.46 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.71 145.73 24.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.087 1.355 . . . . 0.0 113.277 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.5 154.05 51.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.457 2.303 . . . . 0.0 112.77 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.93 -25.45 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 113.886 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -151.32 153.57 35.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.277 1.431 . . . . 0.0 111.494 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.9 p -60.85 -33.11 72.56 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.054 0.941 . . . . 0.0 112.264 173.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.02 -44.23 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.959 0.904 . . . . 0.0 110.644 175.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -65.94 -35.65 81.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.516 1.126 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.45 -49.24 61.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.481 1.112 . . . . 0.0 112.135 170.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.2 -52.44 61.22 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.27 0.941 . . . . 0.0 111.528 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.6 m -64.89 -32.64 74.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.014 0.926 . . . . 0.0 113.24 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.37 -41.65 94.19 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.017 0.826 . . . . 0.0 111.814 170.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.83 -41.41 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 119.368 0.985 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 -65.88 -41.37 91.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.629 -0.669 . . . . 0.0 112.179 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -78.44 -38.25 41.69 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 113.284 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -105.82 -34.42 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.227 1.011 . . . . 0.0 112.969 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -107.4 -15.49 14.61 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.332 0 C-N-CA 124.296 0.951 . . . . 0.0 114.895 174.018 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.716 -0.183 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 t -133.49 139.29 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.869 0.867 . . . . 0.0 111.673 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.0 t -65.09 118.38 9.08 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.083 1.753 . . . . 0.0 111.631 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.18 -7.55 42.7 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.33 -52.14 4.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.569 1.948 . . . . 0.0 110.716 -174.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -122.61 -0.93 9.09 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -174.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.278 3.1 mm? 63.04 21.06 12.68 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.663 1.985 . . . . 0.0 115.466 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -75.11 142.44 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -88.49 150.68 22.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.975 1.31 . . . . 0.0 114.044 175.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -141.01 154.53 46.05 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.898 2.479 . . . . 0.0 112.632 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -72.23 -35.21 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.74 1.216 . . . . 0.0 113.207 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -141.39 161.76 37.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.449 1.1 . . . . 0.0 112.738 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 p -61.39 -32.99 72.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.637 0.775 . . . . 0.0 112.111 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.67 -46.76 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.99 0.916 . . . . 0.0 111.392 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -62.96 -35.88 81.62 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.416 0.553 . . . . 0.0 111.419 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.38 -47.32 61.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.307 1.043 . . . . 0.0 112.535 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -54.59 -50.84 67.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.117 -0.99 . . . . 0.0 111.849 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -70.7 -31.4 68.26 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.932 0.893 . . . . 0.0 112.962 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -58.3 -43.06 87.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.47 1.032 . . . . 0.0 111.123 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.83 -38.62 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.778 0.717 . . . . 0.0 110.463 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -71.15 -39.13 72.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.372 -0.83 . . . . 0.0 112.77 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.84 -34.48 51.86 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -108.96 -33.82 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.238 1.015 . . . . 0.0 113.208 -169.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -111.18 -12.23 14.15 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.304 0 C-N-CA 124.914 1.245 . . . . 0.0 115.931 171.639 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 119.066 -0.492 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.57 139.13 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.497 1.044 . . . . 0.0 111.994 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 23' ' ' LEU . 33.7 t -59.74 135.94 57.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.618 1.567 . . . . 0.0 111.804 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 -6.87 59.51 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.795 0.838 . . . . 0.0 112.639 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.75 -54.47 2.55 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.843 1.257 . . . . 0.0 111.863 -171.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.8 p -106.3 -1.19 23.7 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 mt 61.17 22.27 12.6 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.194 1.798 . . . . 0.0 115.448 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -78.3 141.27 38.61 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.007 1.723 . . . . 0.0 112.97 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.45 150.24 23.9 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.265 1.426 . . . . 0.0 113.901 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -139.95 154.73 47.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.38 2.672 . . . . 0.0 112.385 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.91 -30.25 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.356 1.463 . . . . 0.0 113.555 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -147.12 151.1 36.27 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.132 1.373 . . . . 0.0 111.58 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.1 p -59.04 -31.9 69.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.007 0.923 . . . . 0.0 112.15 172.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.04 -43.38 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.854 0.862 . . . . 0.0 111.365 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -62.56 -40.66 97.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.266 1.027 . . . . 0.0 110.915 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 10' ' ' CYS . 23.8 tp -66.3 -48.22 71.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.314 1.045 . . . . 0.0 111.739 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -58.04 -45.94 86.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.143 -0.973 . . . . 0.0 111.494 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 t -67.21 -35.61 79.96 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.889 0.876 . . . . 0.0 112.726 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -56.83 -45.99 81.98 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.373 -0.829 . . . . 0.0 111.586 170.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.86 -33.45 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 110.399 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -77.25 -34.5 55.79 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.851 -1.156 . . . . 0.0 113.404 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -74.37 -33.81 63.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.921 1.688 . . . . 0.0 113.628 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 p -131.3 -25.23 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.75 -12.95 21.7 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.335 0 C-N-CA 125.616 1.579 . . . . 0.0 116.356 174.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -72.51 158.84 34.96 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.755 0.822 . . . . 0.0 112.573 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -79.75 126.79 31.4 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.141 0.976 . . . . 0.0 111.116 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.23 -159.2 37.43 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 123.912 0.768 . . . . 0.0 113.561 -172.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t 60.18 177.29 0.09 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 125.847 1.659 . . . . 0.0 115.152 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.9 m -124.0 11.78 8.95 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 127.015 2.126 . . . . 0.0 112.14 172.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.82 178.99 45.48 Favored Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.774 1.178 . . . . 0.0 114.009 -177.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -119.26 149.66 41.39 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.559 1.944 . . . . 0.0 110.795 -173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -124.08 140.23 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 CA-C-N 119.105 0.866 . . . . 0.0 112.687 -171.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.7 t -58.23 135.35 57.09 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.916 1.686 . . . . 0.0 111.695 172.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -5.99 59.15 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.829 0.852 . . . . 0.0 112.745 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -110.88 -54.35 2.61 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.846 1.258 . . . . 0.0 111.87 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.3 p -106.86 -0.28 23.41 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.368 1.618 . . . . 0.0 115.368 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.9 mt 60.63 23.21 13.01 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.18 1.792 . . . . 0.0 115.49 175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -80.91 141.03 34.96 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.546 1.938 . . . . 0.0 112.556 174.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -96.83 148.59 22.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.925 1.29 . . . . 0.0 113.459 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -138.89 153.1 48.25 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 127.317 2.247 . . . . 0.0 112.028 -173.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.8 p -70.27 -23.62 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.404 1.082 . . . . 0.0 113.701 -177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.03 162.23 39.21 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.204 1.001 . . . . 0.0 112.979 -177.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.8 p -64.58 -32.67 74.42 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.908 0.883 . . . . 0.0 112.463 172.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.1 mm -66.43 -45.86 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 CA-C-N 119.199 0.909 . . . . 0.0 110.732 172.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -62.9 -34.0 76.49 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 122.909 0.484 . . . . 0.0 111.598 179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.52 -53.68 26.51 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.28 1.032 . . . . 0.0 111.818 169.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -55.12 -46.7 75.6 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 121.277 -0.89 . . . . 0.0 112.167 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 56.7 m -71.74 -34.48 69.55 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.379 1.072 . . . . 0.0 113.387 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -53.07 -45.39 68.11 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.538 1.063 . . . . 0.0 111.712 173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.08 -37.58 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 122.744 0.418 . . . . 0.0 110.393 -177.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -75.29 -35.15 61.33 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.337 -0.852 . . . . 0.0 111.898 -178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.39 -39.27 81.75 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.039 0.936 . . . . 0.0 112.895 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.8 m -122.88 -27.37 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 N-CA-C 115.913 1.82 . . . . 0.0 115.913 -170.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -101.09 -12.06 19.12 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.26 0.624 . . . . 0.0 112.164 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.95 26.34 70.09 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.706 1.622 . . . . 0.0 116.24 173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.98 100.23 2.43 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.717 1.258 . . . . 0.0 111.916 -178.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.3 -150.39 0.28 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 125.298 1.439 . . . . 0.0 111.2 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 127.21 2.204 . . . . 0.0 111.56 -178.214 . . . . . . . . 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 1.563 0 N-CA-C 111.327 -0.709 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -80.99 -14.39 57.99 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.738 1.385 . . . . 0.0 114.738 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 m -68.26 140.13 56.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.611 1.165 . . . . 0.0 113.196 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.55 169.9 54.88 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 124.433 1.016 . . . . 0.0 113.701 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -150.38 150.04 30.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.853 1.261 . . . . 0.0 111.92 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -154.38 152.51 30.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.973 1.709 . . . . 0.0 110.667 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.97 -166.31 46.48 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.282 0.944 . . . . 0.0 113.59 -171.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -128.77 150.51 50.26 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.007 1.323 . . . . 0.0 111.426 -171.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.7 t -134.01 139.85 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.169 0.988 . . . . 0.0 111.226 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.4 t -62.85 124.82 22.04 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.172 1.389 . . . . 0.0 111.872 175.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.83 -6.14 39.43 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.0 -54.61 2.51 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.137 1.375 . . . . 0.0 111.889 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.9 p -107.15 -0.77 22.54 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.973 1.842 . . . . 0.0 115.973 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.253 3.4 mm? 60.51 20.6 10.36 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.207 1.803 . . . . 0.0 115.056 176.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -72.42 141.0 48.67 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.064 1.345 . . . . 0.0 112.091 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -89.77 151.99 21.53 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.314 1.446 . . . . 0.0 113.826 176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -141.75 153.26 44.48 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 127.466 2.306 . . . . 0.0 112.932 -175.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.88 -30.82 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 125.453 1.501 . . . . 0.0 113.42 177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.9 t -147.97 153.03 38.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 124.871 1.268 . . . . 0.0 111.307 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.9 p -62.02 -30.38 70.92 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.932 0.893 . . . . 0.0 112.575 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.04 -41.99 94.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 119.4 1.0 . . . . 0.0 110.775 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.8 mmm-85 -60.29 -41.99 94.52 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.106 0.962 . . . . 0.0 111.048 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.1 tp -69.99 -46.9 64.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.832 1.253 . . . . 0.0 112.276 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -55.64 -43.77 76.51 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.085 0.954 . . . . 0.0 111.984 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -77.77 -32.14 52.38 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.334 1.054 . . . . 0.0 113.387 178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -55.18 -43.42 74.31 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.348 0.976 . . . . 0.0 111.77 171.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.47 -37.37 77.63 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 O-C-N 121.742 -0.599 . . . . 0.0 110.491 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -74.2 -35.9 63.97 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.109 -0.994 . . . . 0.0 111.901 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -78.93 -33.98 44.96 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.304 1.042 . . . . 0.0 113.435 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -109.54 -33.46 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.202 1.001 . . . . 0.0 113.111 -170.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 55.4 m-70 -113.38 -10.91 13.22 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.1 27.37 70.38 Favored Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.249 1.404 . . . . 0.0 116.443 171.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.09 57.46 1.39 Allowed 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 119.071 1.436 . . . . 0.0 113.554 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.33 17.09 4.05 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.324 2.25 . . . . 0.0 112.895 -177.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 . . . . . 0 C--O 1.254 1.306 0 C-N-CA 126.193 1.797 . . . . 0.0 112.984 -175.462 . . . . . . . . 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 1.478 1.497 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 m -57.83 134.27 56.15 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.528 1.131 . . . . 0.0 112.517 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 m 56.62 18.05 3.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 -175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.05 168.09 54.35 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.56 1.076 . . . . 0.0 113.903 174.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.6 p -145.42 156.92 44.05 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.041 1.337 . . . . 0.0 112.745 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 p -111.56 7.25 20.53 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.849 1.66 . . . . 0.0 114.242 -177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.35 -179.6 45.07 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.437 1.494 . . . . 0.0 112.703 178.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -97.68 146.39 25.38 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.996 1.318 . . . . 0.0 110.44 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -133.85 138.98 49.54 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 O-C-N 121.467 -0.77 . . . . 0.0 111.651 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.6 t -58.98 135.08 57.5 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.485 1.514 . . . . 0.0 111.522 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.69 -6.7 59.52 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.796 0.838 . . . . 0.0 112.602 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -108.55 -53.28 2.66 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.922 1.289 . . . . 0.0 111.728 -171.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.98 -0.26 19.68 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.0 mt 61.23 21.98 12.37 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 126.004 1.722 . . . . 0.0 115.447 176.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.24 140.44 38.89 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 126.286 1.834 . . . . 0.0 112.594 174.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -95.14 149.27 21.47 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.312 1.445 . . . . 0.0 113.63 -178.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -141.75 152.98 44.29 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.609 2.364 . . . . 0.0 112.452 -173.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.39 -33.62 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.809 1.243 . . . . 0.0 113.465 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.2 m -144.31 157.73 44.12 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 125.142 1.377 . . . . 0.0 111.927 -173.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -59.58 -39.88 85.55 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.183 0.993 . . . . 0.0 112.861 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.5 mm -61.54 -41.89 91.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 124.36 1.064 . . . . 0.0 111.761 178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.3 mmm180 -61.78 -41.4 97.68 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.521 1.128 . . . . 0.0 110.861 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.88 -48.4 63.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.269 1.028 . . . . 0.0 112.09 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -54.62 -50.34 68.33 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.832 0.853 . . . . 0.0 111.323 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.5 m -67.1 -36.3 81.65 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.778 0.831 . . . . 0.0 112.92 178.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.1 t60 -54.26 -46.5 72.66 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.666 1.121 . . . . 0.0 111.684 170.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 78.1 mt -61.03 -40.76 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 122.024 -0.422 . . . . 0.0 110.254 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -70.1 -38.77 75.72 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.415 -0.803 . . . . 0.0 112.413 177.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -67.4 -41.76 84.43 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.25 1.02 . . . . 0.0 113.142 -178.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.16 -27.61 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 N-CA-C 115.513 1.671 . . . . 0.0 115.513 -169.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -100.33 -14.28 18.45 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.369 0.532 . . . . 0.0 112.009 176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.03 31.29 61.41 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.29 1.424 . . . . 0.0 115.518 175.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.47 -30.67 71.42 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -169.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.5 135.5 9.83 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.715 1.606 . . . . 0.0 109.952 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.1 mp0 . . . . . 0 C--O 1.254 1.32 0 C-N-CA 125.884 1.674 . . . . 0.0 112.588 176.872 . . . . . . . . 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 1.481 1.654 0 N-CA-C 112.151 -0.38 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.7 t -149.75 149.03 29.94 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.111 1.365 . . . . 0.0 111.949 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 m -80.64 -14.5 58.11 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.675 1.19 . . . . 0.0 113.378 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.02 80.55 0.03 OUTLIER Glycine 0 CA--C 1.532 1.113 0 C-N-CA 124.469 1.033 . . . . 0.0 112.726 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -66.87 121.94 16.59 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.464 0.706 . . . . 0.0 111.309 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m 56.85 17.05 3.04 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.17 154.23 8.15 Favored Glycine 0 CA--C 1.533 1.186 0 O-C-N 121.082 -1.011 . . . . 0.0 113.976 176.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -83.34 143.77 30.13 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.579 1.552 . . . . 0.0 110.543 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.3 t -123.91 138.88 52.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 119.39 0.995 . . . . 0.0 113.014 -170.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.4 t -58.21 135.6 57.13 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.795 1.638 . . . . 0.0 111.65 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.62 -6.12 59.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.836 0.854 . . . . 0.0 112.742 175.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.12 -53.96 2.65 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.836 1.255 . . . . 0.0 111.817 -171.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.2 p -107.54 0.15 22.49 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.523 1.675 . . . . 0.0 115.523 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.6 mt 60.83 23.46 13.46 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.164 1.786 . . . . 0.0 115.536 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -81.65 140.93 34.1 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 126.438 1.895 . . . . 0.0 112.666 175.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -95.61 146.54 24.4 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.413 1.485 . . . . 0.0 113.279 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -136.1 153.78 51.2 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.187 2.195 . . . . 0.0 112.899 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -67.51 -26.56 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.543 1.537 . . . . 0.0 113.888 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.4 t -148.85 152.91 37.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.292 1.437 . . . . 0.0 111.566 -175.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 p -59.52 -30.28 68.47 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.997 0.919 . . . . 0.0 112.142 171.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mm -66.97 -42.98 89.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.971 0.908 . . . . 0.0 111.434 176.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 58.3 mmm-85 -63.79 -39.44 94.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 111.248 176.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.1 tp -64.09 -50.73 67.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.719 1.208 . . . . 0.0 111.316 173.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -58.69 -43.9 90.13 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.415 -0.803 . . . . 0.0 111.878 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -70.7 -37.87 73.63 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 123.993 0.917 . . . . 0.0 112.988 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.7 t60 -52.61 -45.53 66.62 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.905 0.882 . . . . 0.0 111.907 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.26 -36.52 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 C-N-CA 122.758 0.423 . . . . 0.0 110.487 -177.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -75.04 -36.56 61.84 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.143 -0.973 . . . . 0.0 111.592 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -70.94 -36.8 72.76 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.275 1.03 . . . . 0.0 113.156 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.76 -28.65 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 115.92 1.822 . . . . 0.0 115.92 -174.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -100.36 -11.68 20.07 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.643 0.656 . . . . 0.0 112.42 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 64.28 26.99 70.97 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 125.741 1.638 . . . . 0.0 116.48 172.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.26 94.92 2.56 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 118.916 1.358 . . . . 0.0 112.103 -178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -152.48 125.89 8.76 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.628 1.571 . . . . 0.0 110.14 178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.8 mm100 . . . . . 0 C--O 1.255 1.37 0 C-N-CA 125.976 1.71 . . . . 0.0 112.353 179.421 . . . . . . . . 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 1.48 1.623 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.3 m -67.44 146.56 53.88 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.367 1.067 . . . . 0.0 112.963 -179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.3 p -79.88 152.57 29.57 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.729 1.212 . . . . 0.0 113.128 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.56 173.98 53.0 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 124.449 1.024 . . . . 0.0 113.824 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 m -79.05 44.47 0.57 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.743 1.617 . . . . 0.0 112.888 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -73.75 153.55 39.97 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.692 1.597 . . . . 0.0 113.96 -169.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.27 170.15 43.15 Favored Glycine 0 CA--C 1.537 1.412 0 C-N-CA 125.344 1.45 . . . . 0.0 115.049 177.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -121.16 143.85 48.89 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.33 1.852 . . . . 0.0 110.126 -177.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.4 t -123.41 137.67 55.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 CA-C-N 119.17 0.895 . . . . 0.0 112.49 -171.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.7 t -63.63 123.34 18.59 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.424 1.49 . . . . 0.0 111.685 175.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.0 -6.22 40.57 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.37 -52.9 2.71 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.237 1.415 . . . . 0.0 111.793 -174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.3 p -109.98 0.73 18.65 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.254 3.3 mm? 61.16 21.88 12.25 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.196 1.798 . . . . 0.0 115.129 174.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -80.13 139.46 36.82 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.674 1.589 . . . . 0.0 112.42 171.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -88.04 150.73 23.23 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.773 1.229 . . . . 0.0 113.616 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -136.14 155.13 50.62 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.465 2.706 . . . . 0.0 111.83 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.1 p -67.46 -29.94 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 125.119 1.368 . . . . 0.0 113.465 178.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.1 t -147.88 152.98 38.51 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.104 1.362 . . . . 0.0 111.425 -177.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.0 t -55.64 -34.7 65.17 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.325 1.05 . . . . 0.0 111.563 172.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.08 -39.83 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 O-C-N 121.021 -1.049 . . . . 0.0 111.206 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -62.84 -40.45 97.48 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.237 0.615 . . . . 0.0 111.135 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 tp -66.92 -45.37 78.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.412 1.085 . . . . 0.0 111.978 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.6 mtt180 -54.3 -52.88 60.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.188 0.904 . . . . 0.0 111.091 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.1 m -68.22 -34.03 75.5 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.65 0.78 . . . . 0.0 112.969 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -55.09 -44.89 75.3 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.557 1.071 . . . . 0.0 111.588 169.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.6 mt -62.27 -41.22 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.794 0.725 . . . . 0.0 110.282 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -69.0 -39.11 79.53 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.407 -0.808 . . . . 0.0 112.566 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.34 -35.6 47.33 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.58 -27.95 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.109 0.964 . . . . 0.0 113.538 -167.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 70.3 m-70 -112.83 -15.19 12.97 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.31 25.31 73.63 Favored Glycine 0 CA--C 1.535 1.281 0 C-N-CA 124.814 1.197 . . . . 0.0 115.766 173.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.22 130.24 42.62 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.471 1.135 . . . . 0.0 111.67 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.79 11.04 32.86 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.165 1.786 . . . . 0.0 114.289 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.2 mm100 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.719 1.608 . . . . 0.0 113.458 -175.377 . . . . . . . . 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 1.479 1.543 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -136.19 152.98 51.36 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.211 1.404 . . . . 0.0 112.002 -176.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.2 p -148.36 161.83 40.77 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.198 1.399 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.35 -164.01 50.85 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 124.338 0.97 . . . . 0.0 114.5 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -97.88 11.68 36.57 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.96 1.704 . . . . 0.0 114.317 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.7 m -64.05 147.11 52.92 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.024 1.329 . . . . 0.0 113.795 -175.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.97 174.15 44.91 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 125.35 1.452 . . . . 0.0 112.584 177.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -84.49 144.51 28.66 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.257 1.023 . . . . 0.0 109.866 175.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.15 139.75 48.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.579 1.082 . . . . 0.0 112.466 -174.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.7 t -60.53 134.22 56.86 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.806 1.642 . . . . 0.0 112.365 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.62 -6.16 57.91 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.698 0.799 . . . . 0.0 112.769 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -111.2 -52.83 2.76 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.995 1.318 . . . . 0.0 111.876 -172.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.1 p -109.9 -2.8 16.97 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.2 mp 59.74 27.5 16.78 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 126.09 1.756 . . . . 0.0 115.025 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -79.86 142.06 35.57 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.691 1.997 . . . . 0.0 112.268 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -96.56 146.9 24.4 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.425 1.49 . . . . 0.0 113.499 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -138.18 152.51 48.73 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.179 2.192 . . . . 0.0 113.197 -172.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.2 p -68.69 -30.88 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 126.212 1.805 . . . . 0.0 113.608 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.1 t -148.77 152.67 36.95 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.837 1.255 . . . . 0.0 111.436 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.7 p -57.83 -29.73 65.19 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.396 1.078 . . . . 0.0 112.56 173.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.53 -43.91 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.92 0.888 . . . . 0.0 111.595 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -64.63 -40.15 94.96 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.994 0.918 . . . . 0.0 110.779 178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 tp -64.41 -48.25 76.09 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.588 1.155 . . . . 0.0 111.344 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -58.05 -50.44 73.43 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.443 -0.786 . . . . 0.0 111.015 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.3 t -63.65 -36.56 84.23 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.474 0.71 . . . . 0.0 112.74 177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -55.98 -44.85 78.93 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 121.387 -0.82 . . . . 0.0 111.727 171.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.61 -42.37 93.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-N 118.921 0.782 . . . . 0.0 110.274 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -66.49 -40.46 89.31 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.594 -0.691 . . . . 0.0 112.584 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -79.77 -34.75 39.51 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -176.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.1 t -107.72 -32.87 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.166 0.986 . . . . 0.0 113.02 -169.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -109.63 -15.48 14.15 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.72 24.11 74.05 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 116.009 1.164 . . . . 0.0 116.009 172.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 123.91 20.87 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.54 1.17 . . . . 0.0 110.257 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.43 6.28 42.43 Favored 'General case' 0 CA--C 1.55 0.969 0 N-CA-C 115.324 1.602 . . . . 0.0 115.324 -173.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 . . . . . 0 C--O 1.252 1.189 0 C-N-CA 125.542 1.537 . . . . 0.0 113.228 -176.168 . . . . . . . . 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 1.48 1.59 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.2 p -80.0 -15.42 57.28 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.642 1.349 . . . . 0.0 114.642 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -147.63 170.29 17.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.191 1.796 . . . . 0.0 111.185 177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.09 151.45 22.36 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.481 1.039 . . . . 0.0 114.037 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 m -69.7 168.23 15.36 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.012 1.725 . . . . 0.0 113.879 -176.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m 63.12 170.37 0.15 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 126.604 1.962 . . . . 0.0 114.706 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.08 177.71 50.09 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 124.423 1.011 . . . . 0.0 113.636 -171.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -132.72 147.87 52.33 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.267 1.427 . . . . 0.0 110.816 -170.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.3 t -128.37 139.2 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-N 119.101 0.864 . . . . 0.0 112.079 -175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.3 t -64.18 121.38 14.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.491 1.516 . . . . 0.0 111.7 174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.5 -6.58 41.6 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 mp -103.58 -51.24 3.24 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.229 1.411 . . . . 0.0 111.599 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -113.48 0.69 14.79 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.514 2.042 . . . . 0.0 116.514 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.256 3.3 mm? 61.4 22.12 12.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 126.328 1.851 . . . . 0.0 115.027 175.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -79.73 139.2 37.4 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.984 1.714 . . . . 0.0 112.268 172.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -95.56 148.09 22.87 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.864 1.266 . . . . 0.0 113.328 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.64 154.05 49.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 127.319 2.248 . . . . 0.0 112.628 -174.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.82 -28.51 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 125.84 1.656 . . . . 0.0 113.671 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 t -150.28 151.17 32.55 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.278 1.431 . . . . 0.0 111.372 -173.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.1 p -60.69 -30.28 69.84 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.136 0.974 . . . . 0.0 112.318 173.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.36 -46.65 89.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 119.431 1.014 . . . . 0.0 110.505 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -63.89 -37.23 86.65 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.608 0.763 . . . . 0.0 111.182 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 tp -67.2 -46.94 72.39 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.87 0.868 . . . . 0.0 112.024 173.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -56.87 -50.16 73.32 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.203 -0.935 . . . . 0.0 111.147 -178.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.5 m -67.27 -35.39 79.4 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.319 1.048 . . . . 0.0 112.821 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -55.09 -46.41 75.49 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.201 0.909 . . . . 0.0 111.19 169.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.21 -40.85 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 121.691 -0.631 . . . . 0.0 110.379 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 mmt-85 -68.77 -38.87 80.33 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 119.02 0.827 . . . . 0.0 112.945 -178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -87.49 -29.75 21.14 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.368 1.247 . . . . 0.0 114.368 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.0 t -101.5 -37.49 5.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.22 1.008 . . . . 0.0 112.907 -176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -108.13 -14.65 14.68 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -176.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 63.27 30.31 77.13 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.652 1.12 . . . . 0.0 115.694 173.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.47 -24.35 66.41 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -172.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -158.18 150.79 22.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.482 1.913 . . . . 0.0 109.353 177.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 . . . . . 0 C--O 1.252 1.211 0 C-N-CA 127.568 2.347 . . . . 0.0 111.5 -179.9 . . . . . . . . 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 1.632 0 N-CA-C 111.991 -0.444 . . . . 0.0 111.991 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -69.65 150.84 46.58 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.388 1.075 . . . . 0.0 113.32 -178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.1 m -77.25 143.76 38.69 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.372 1.069 . . . . 0.0 112.258 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.7 11.6 77.61 Favored Glycine 0 CA--C 1.538 1.511 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m -64.74 149.01 50.01 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 118.851 1.326 . . . . 0.0 113.159 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -76.58 157.55 31.89 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.366 1.066 . . . . 0.0 113.625 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.9 168.21 41.35 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 125.849 1.69 . . . . 0.0 112.148 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -125.42 147.74 49.07 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.147 1.379 . . . . 0.0 111.089 -172.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.6 t -133.18 139.35 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.768 0.827 . . . . 0.0 111.448 -177.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.21 123.49 18.33 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.566 1.546 . . . . 0.0 111.9 176.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.67 -6.97 45.03 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 176.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.41 -52.38 2.8 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.245 1.418 . . . . 0.0 111.761 -174.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.0 p -111.88 1.07 16.34 Favored 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.255 3.3 mm? 60.35 24.36 13.86 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.085 1.754 . . . . 0.0 114.918 175.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -83.28 139.92 32.79 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.537 1.935 . . . . 0.0 112.232 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -95.44 147.98 22.96 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.962 1.305 . . . . 0.0 113.666 -176.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -140.83 153.65 45.87 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 127.417 2.287 . . . . 0.0 112.354 -174.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.34 -37.89 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.95 1.3 . . . . 0.0 113.327 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.3 m -145.32 157.29 44.08 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.231 1.413 . . . . 0.0 111.317 -175.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 p -56.39 -37.56 70.3 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.466 1.107 . . . . 0.0 113.201 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.6 mm -59.74 -44.97 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.301 1.041 . . . . 0.0 112.004 176.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.201 0.6 . . . . 0.0 111.105 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.9 -48.55 68.35 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.537 0.735 . . . . 0.0 111.674 171.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -56.09 -53.02 62.01 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.458 1.026 . . . . 0.0 111.303 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.3 m -59.82 -35.95 75.77 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.766 0.826 . . . . 0.0 113.149 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -58.85 -45.3 90.43 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.569 1.077 . . . . 0.0 111.821 169.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.84 -42.15 93.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 118.998 0.817 . . . . 0.0 110.347 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 mmm-85 -64.79 -42.72 94.83 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 118.992 0.815 . . . . 0.0 112.735 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.77 -34.19 52.4 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 t -108.13 -33.12 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.923 0.889 . . . . 0.0 113.118 -169.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -110.94 -13.99 14.03 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.44 36.42 92.58 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 124.252 0.929 . . . . 0.0 115.364 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.7 179.35 2.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.467 1.107 . . . . 0.0 112.567 177.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -116.44 107.49 14.84 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.784 2.033 . . . . 0.0 111.285 -174.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 127.555 2.342 . . . . 0.0 110.216 170.28 . . . . . . . . 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 1.479 1.517 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.3 m -72.02 149.42 44.95 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.483 1.113 . . . . 0.0 113.228 -177.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -71.38 -16.94 62.43 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.18 -4.05 58.6 Favored Glycine 0 CA--C 1.538 1.512 0 C-N-CA 125.083 1.325 . . . . 0.0 115.769 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 m -79.06 9.96 3.92 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.443 1.497 . . . . 0.0 114.827 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.8 p -68.44 158.56 33.44 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.874 1.27 . . . . 0.0 113.457 176.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.61 -172.25 45.28 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.817 1.199 . . . . 0.0 113.053 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -112.57 147.71 36.07 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.551 1.54 . . . . 0.0 110.584 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.54 139.28 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 CA-C-N 118.841 0.746 . . . . 0.0 111.786 -176.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.0 t -61.66 124.16 19.92 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.6 1.56 . . . . 0.0 111.962 176.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.14 -7.24 47.99 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -106.03 -52.26 2.84 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.157 1.383 . . . . 0.0 111.819 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.5 p -112.74 1.12 15.52 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 116.48 2.03 . . . . 0.0 116.48 -179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.257 3.4 mm? 60.48 23.59 13.23 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.006 1.722 . . . . 0.0 114.819 176.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -79.94 139.81 36.91 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.135 1.774 . . . . 0.0 112.209 172.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -97.65 148.57 23.17 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.194 1.397 . . . . 0.0 113.694 -175.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -141.52 152.38 44.09 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 127.144 2.178 . . . . 0.0 112.78 -172.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.2 p -71.57 -31.4 42.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.556 1.543 . . . . 0.0 113.762 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 43.5 t -150.96 155.13 38.45 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.594 1.558 . . . . 0.0 110.228 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.4 p -59.26 -29.82 67.83 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.0 mm -57.71 -44.23 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.063 0.945 . . . . 0.0 111.941 175.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -69.15 -34.62 75.27 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.527 0.731 . . . . 0.0 110.99 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.5 tp -69.05 -46.03 68.9 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.209 1.003 . . . . 0.0 112.345 172.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.4 mtt-85 -54.96 -52.25 63.62 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.369 0.986 . . . . 0.0 110.659 -177.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.8 m -68.93 -32.54 72.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.9 t60 -55.46 -47.44 76.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 119.652 1.114 . . . . 0.0 111.396 170.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.2 mt -60.38 -42.66 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 CA-C-N 118.071 0.396 . . . . 0.0 110.141 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -67.24 -39.33 86.17 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.697 -0.627 . . . . 0.0 112.366 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -72.41 -38.16 68.46 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.413 0.894 . . . . 0.0 113.413 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.5 m -116.08 -29.88 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 115.568 1.692 . . . . 0.0 115.568 -173.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -99.22 -14.77 19.16 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.396 0.544 . . . . 0.0 112.028 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.87 23.97 66.15 Favored Glycine 0 CA--C 1.536 1.404 0 C-N-CA 124.914 1.245 . . . . 0.0 116.011 172.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.62 119.75 11.1 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.562 1.145 . . . . 0.0 110.651 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.04 2.45 49.6 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -173.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 . . . . . 0 C--O 1.251 1.162 0 C-N-CA 126.88 2.072 . . . . 0.0 110.959 178.724 . . . . . . . . 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 1.478 1.494 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 m 52.95 39.37 29.19 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.911 1.284 . . . . 0.0 113.078 -172.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 m -78.43 44.92 0.54 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.878 2.071 . . . . 0.0 114.274 -169.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.79 152.86 52.68 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.924 1.249 . . . . 0.0 114.088 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 m -83.81 -7.31 59.49 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 -174.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 p -70.65 153.82 42.46 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.82 1.248 . . . . 0.0 113.469 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.29 -175.37 41.77 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.87 1.224 . . . . 0.0 113.512 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -125.21 152.74 44.15 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.375 1.87 . . . . 0.0 110.328 -178.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 t -133.22 141.17 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 CA-C-N 119.326 0.967 . . . . 0.0 112.395 -172.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.8 t -57.69 135.64 56.77 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.878 1.671 . . . . 0.0 112.156 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.01 -5.82 59.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.842 0.857 . . . . 0.0 112.909 175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -111.97 -53.02 2.75 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.878 1.271 . . . . 0.0 111.984 -171.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.0 p -109.71 -2.39 17.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.279 9.8 mp 60.18 26.49 15.92 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.168 1.787 . . . . 0.0 115.043 174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -77.57 140.8 39.75 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.173 1.789 . . . . 0.0 112.336 170.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -95.88 149.47 21.51 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.371 1.468 . . . . 0.0 113.495 -178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -141.01 154.05 45.83 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.398 2.279 . . . . 0.0 112.923 -171.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.93 -30.23 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.088 1.355 . . . . 0.0 113.613 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p -142.5 161.64 37.53 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.469 1.108 . . . . 0.0 112.38 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.5 p -68.05 -19.49 64.89 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 172.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.57 -45.33 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 O-C-N 120.903 -1.123 . . . . 0.0 109.923 174.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -62.09 -36.23 81.09 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.485 0.584 . . . . 0.0 111.497 176.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.1 tp -65.09 -50.14 67.27 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.658 1.183 . . . . 0.0 111.468 173.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -54.54 -47.92 72.63 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.422 1.01 . . . . 0.0 112.101 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.2 m -73.71 -33.0 64.18 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.098 0.959 . . . . 0.0 113.286 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -52.65 -46.48 67.16 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.096 0.862 . . . . 0.0 111.695 172.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt -60.71 -37.58 76.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 C-N-CA 122.725 0.41 . . . . 0.0 110.485 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -74.49 -35.22 63.23 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.123 -0.986 . . . . 0.0 112.058 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -71.45 -37.6 71.37 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.09 0.956 . . . . 0.0 113.219 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 m -121.43 -28.26 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 N-CA-C 115.934 1.827 . . . . 0.0 115.934 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -100.6 -10.75 20.66 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.265 0.626 . . . . 0.0 112.384 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.47 28.37 73.26 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 125.619 1.581 . . . . 0.0 116.612 170.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.06 52.8 0.91 Allowed 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 118.851 1.326 . . . . 0.0 113.823 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -127.08 10.68 6.95 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.835 2.054 . . . . 0.0 113.855 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 . . . . . 0 C--O 1.254 1.329 0 C-N-CA 126.799 2.04 . . . . 0.0 111.372 179.965 . . . . . . . . 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 1.479 1.515 0 N-CA-C 111.9 -0.48 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 m -67.8 148.27 51.44 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.535 1.134 . . . . 0.0 113.048 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m -71.14 149.97 45.89 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.492 1.117 . . . . 0.0 113.302 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.96 154.3 13.33 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.213 1.387 . . . . 0.0 112.587 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 m -141.22 145.45 35.62 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.654 1.181 . . . . 0.0 112.79 -173.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -70.0 155.43 40.6 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.827 1.251 . . . . 0.0 112.027 171.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.78 -169.59 42.67 Favored Glycine 0 CA--C 1.533 1.199 0 O-C-N 121.775 -0.578 . . . . 0.0 114.341 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -125.97 152.9 45.08 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.573 1.949 . . . . 0.0 110.205 -176.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.4 t -123.73 139.93 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 CA-C-N 119.295 0.952 . . . . 0.0 112.943 -171.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.14 121.75 13.29 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.059 1.744 . . . . 0.0 111.942 173.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.38 -6.45 43.54 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 176.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -105.31 -50.85 3.13 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.178 1.391 . . . . 0.0 111.737 -174.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 p -114.24 2.5 14.83 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 60.23 29.72 19.25 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 126.105 1.762 . . . . 0.0 114.723 173.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.43 140.71 29.46 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 126.703 2.001 . . . . 0.0 112.196 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -92.88 147.3 22.96 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.744 1.217 . . . . 0.0 113.321 -176.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -137.42 149.72 47.11 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.972 2.109 . . . . 0.0 112.551 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -65.85 -27.43 41.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 125.906 1.682 . . . . 0.0 114.176 -175.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.4 t -147.98 151.49 35.86 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.44 1.496 . . . . 0.0 110.812 -176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 p -64.43 -22.9 67.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.119 0.567 . . . . 0.0 112.09 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 47.4 mm -69.64 -39.7 78.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 O-C-N 120.864 -1.147 . . . . 0.0 111.326 171.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -73.99 -31.53 63.01 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.0 0.92 . . . . 0.0 111.645 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.4 tp -63.94 -49.4 72.74 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.039 0.936 . . . . 0.0 110.503 168.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.7 mtt85 -54.22 -52.14 62.23 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.111 0.869 . . . . 0.0 111.134 176.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 66.4 m -63.21 -40.38 97.31 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.872 1.269 . . . . 0.0 112.426 -175.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -52.81 -46.87 67.89 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.157 0.983 . . . . 0.0 111.785 173.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 60.2 mt -60.7 -39.7 82.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 122.429 0.292 . . . . 0.0 110.214 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 mmt180 -70.09 -39.35 75.63 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.417 -0.802 . . . . 0.0 111.907 178.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -67.15 -40.66 86.71 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.455 1.102 . . . . 0.0 113.102 -177.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -122.06 -27.36 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -170.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -100.27 -11.92 19.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.045 0.538 . . . . 0.0 112.137 176.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.29 24.3 70.53 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.315 1.436 . . . . 0.0 116.382 171.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.88 101.87 2.24 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.936 1.368 . . . . 0.0 111.278 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.19 92.78 3.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.525 1.53 . . . . 0.0 112.772 -169.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 . . . . . 0 C--O 1.252 1.218 0 C-N-CA 125.973 1.709 . . . . 0.0 113.508 169.903 . . . . . . . . 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 1.585 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.2 m -81.58 -11.43 59.15 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 -176.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 p -73.62 155.18 39.33 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.16 1.384 . . . . 0.0 113.157 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.11 -18.56 79.75 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 123.984 0.802 . . . . 0.0 115.04 -178.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 t -155.35 153.31 30.28 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.329 1.451 . . . . 0.0 111.67 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 t -147.46 146.42 29.53 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.622 1.569 . . . . 0.0 110.682 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.85 164.87 53.19 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.291 0.948 . . . . 0.0 115.288 -175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -93.97 143.69 26.13 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.037 1.735 . . . . 0.0 110.315 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.3 t -118.7 137.24 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 CA-C-N 118.799 0.727 . . . . 0.0 112.652 -170.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 40.4 t -64.1 122.46 16.64 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.497 1.519 . . . . 0.0 111.681 176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.89 -6.96 45.59 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -103.25 -50.78 3.39 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.26 1.424 . . . . 0.0 111.55 -174.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.6 p -114.27 2.46 14.79 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 116.7 2.111 . . . . 0.0 116.7 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? 60.71 27.55 17.29 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.172 1.789 . . . . 0.0 114.822 172.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -93.51 139.3 30.89 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.571 1.948 . . . . 0.0 112.376 175.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -92.2 144.87 24.98 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.927 1.291 . . . . 0.0 113.154 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -133.48 153.27 51.76 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.314 2.246 . . . . 0.0 112.28 -178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.55 -23.63 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 125.384 1.474 . . . . 0.0 114.217 -177.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.6 t -150.18 153.5 36.39 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.196 1.398 . . . . 0.0 111.578 -177.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 64.6 p -60.49 -31.93 70.95 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.013 0.925 . . . . 0.0 112.008 172.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.4 mm -68.97 -40.7 81.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 124.053 0.941 . . . . 0.0 111.308 176.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -65.55 -39.4 91.67 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.29 1.036 . . . . 0.0 111.101 176.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 tp -64.84 -48.44 74.33 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.231 1.013 . . . . 0.0 111.513 172.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -57.6 -48.87 78.21 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.403 -0.81 . . . . 0.0 111.133 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.6 t -58.44 -41.68 85.63 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.99 0.916 . . . . 0.0 112.352 175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -56.57 -46.16 80.91 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.596 -0.69 . . . . 0.0 111.743 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 82.4 mt -61.38 -41.0 88.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 118.12 0.418 . . . . 0.0 110.349 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.1 mmm-85 -69.4 -39.18 78.11 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 118.947 0.794 . . . . 0.0 112.299 177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -71.2 -38.74 72.04 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.985 0.914 . . . . 0.0 113.413 -175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -116.77 -29.88 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 115.483 1.661 . . . . 0.0 115.483 -173.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -99.05 -13.92 19.65 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 118.573 0.624 . . . . 0.0 112.04 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 59.12 32.33 71.12 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.327 1.441 . . . . 0.0 115.768 173.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.75 128.94 39.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.733 1.213 . . . . 0.0 111.722 -178.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.14 127.68 7.92 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.898 2.079 . . . . 0.0 109.946 176.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.0 tp60 . . . . . 0 C--O 1.253 1.28 0 C-N-CA 125.682 1.593 . . . . 0.0 112.551 176.563 . . . . . . . . 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 1.52 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -135.81 153.75 51.42 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.149 1.38 . . . . 0.0 112.217 -176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 p -80.18 164.07 23.57 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.174 1.39 . . . . 0.0 113.167 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.37 -158.12 53.11 Favored Glycine 0 CA--C 1.538 1.513 0 C-N-CA 124.322 0.963 . . . . 0.0 114.152 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -142.27 163.24 33.4 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.595 1.558 . . . . 0.0 112.4 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.8 p -85.25 -10.18 56.84 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.07 -161.43 12.77 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.414 1.483 . . . . 0.0 113.415 -175.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -129.5 149.82 51.11 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.328 1.451 . . . . 0.0 111.354 -172.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.6 t -134.16 141.38 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.92 0.888 . . . . 0.0 111.346 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 37.4 t -58.95 136.01 57.77 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.619 1.567 . . . . 0.0 112.226 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.81 -6.54 59.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.805 0.842 . . . . 0.0 112.729 175.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mp -110.24 -53.11 2.72 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.873 1.269 . . . . 0.0 111.849 -172.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 p -109.74 -3.2 16.9 Favored 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.281 9.6 mp 60.32 26.38 15.89 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.158 1.783 . . . . 0.0 115.0 176.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -77.22 141.15 40.19 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.202 1.801 . . . . 0.0 112.343 169.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -95.84 148.55 22.48 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.288 1.435 . . . . 0.0 113.724 -176.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -141.25 154.65 45.88 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 127.166 2.186 . . . . 0.0 113.141 -173.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 p -73.58 -27.75 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 125.596 1.559 . . . . 0.0 113.474 177.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -148.78 151.66 35.2 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 125.164 1.386 . . . . 0.0 111.521 -174.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.7 p -60.09 -29.07 68.33 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.049 0.94 . . . . 0.0 112.238 172.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.2 mm -67.28 -44.0 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.933 0.893 . . . . 0.0 111.26 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 57.9 mmm-85 -62.43 -40.25 95.96 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.892 0.877 . . . . 0.0 110.988 176.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.7 tp -67.5 -45.75 74.93 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.258 1.023 . . . . 0.0 111.844 176.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 mtt-85 -55.0 -52.55 62.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.163 0.892 . . . . 0.0 111.123 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.4 m -63.43 -35.73 81.4 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.917 0.887 . . . . 0.0 112.881 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 19.5 t60 -57.64 -45.71 85.12 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.319 0.963 . . . . 0.0 111.733 169.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.63 -41.0 90.5 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 CA-C-N 118.919 0.781 . . . . 0.0 110.358 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.4 mmm-85 -68.85 -39.58 79.84 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.153 0.888 . . . . 0.0 112.679 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -79.24 -34.38 42.76 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -177.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.1 t -108.21 -32.98 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 124.284 1.033 . . . . 0.0 113.081 -169.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -109.13 -15.89 14.22 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.92 36.91 94.08 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.784 1.183 . . . . 0.0 115.519 172.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.94 127.06 27.09 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.883 1.273 . . . . 0.0 111.466 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.09 88.97 6.29 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.961 1.705 . . . . 0.0 111.475 -178.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 126.883 2.073 . . . . 0.0 113.075 -179.455 . . . . . . . . 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 1.48 1.586 0 N-CA-C 112.051 -0.419 . . . . 0.0 112.051 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -80.19 160.62 25.58 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.373 1.069 . . . . 0.0 112.509 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.0 m -133.1 142.39 48.69 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.703 1.601 . . . . 0.0 111.572 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.25 -20.18 62.72 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 115.723 1.049 . . . . 0.0 115.723 -172.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -72.95 -19.88 61.16 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.464 1.106 . . . . 0.0 113.662 175.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p 48.28 28.39 1.59 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.064 2.146 . . . . 0.0 116.041 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.22 -167.94 31.9 Favored Glycine 0 CA--C 1.534 1.229 0 C-N-CA 125.723 1.63 . . . . 0.0 112.847 -176.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -125.38 153.27 43.65 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.348 1.859 . . . . 0.0 110.153 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.5 t -133.49 141.08 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 CA-C-N 119.604 1.093 . . . . 0.0 112.315 -173.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.5 t -58.81 136.39 57.77 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.276 1.43 . . . . 0.0 111.429 172.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.74 -8.49 58.12 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.646 0.779 . . . . 0.0 112.482 174.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 HD12 ' CG ' ' A' ' 31' ' ' HIS . 0.0 OUTLIER -105.62 -52.21 2.86 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.638 0.775 . . . . 0.0 111.867 -175.415 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -109.37 0.2 19.33 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 115.725 1.75 . . . . 0.0 115.725 -178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt 61.58 20.42 11.24 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.269 1.828 . . . . 0.0 115.889 173.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -74.6 142.13 44.66 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.749 1.62 . . . . 0.0 112.641 172.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -88.79 152.13 21.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.167 1.387 . . . . 0.0 113.993 175.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -140.85 153.86 45.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 128.154 2.582 . . . . 0.0 112.538 -175.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.7 p -72.85 -26.41 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.683 1.593 . . . . 0.0 113.679 177.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.8 t -149.27 151.76 34.75 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.122 1.369 . . . . 0.0 111.842 -174.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 p -60.3 -30.47 69.5 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.233 1.013 . . . . 0.0 112.389 172.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.4 mm -68.72 -42.13 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 O-C-N 121.246 -0.909 . . . . 0.0 111.145 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.4 mmm-85 -63.59 -40.68 97.57 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.363 1.065 . . . . 0.0 110.928 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 tp -64.12 -48.67 75.2 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.276 1.43 . . . . 0.0 111.749 173.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -56.73 -53.48 57.24 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.404 -0.81 . . . . 0.0 111.117 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.8 m -65.41 -34.36 78.12 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.892 0.877 . . . . 0.0 113.109 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -54.1 -46.36 72.08 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.299 0.954 . . . . 0.0 111.516 169.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.02 -41.63 93.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-N 118.595 0.634 . . . . 0.0 110.297 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -67.76 -38.19 83.12 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.319 -0.863 . . . . 0.0 112.941 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -90.9 -30.78 16.7 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.2 t -101.28 -36.45 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.37 1.068 . . . . 0.0 112.737 -177.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' CG ' HD12 ' A' ' 12' ' ' LEU . 89.4 m-70 -106.18 -15.68 14.8 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.16 24.04 76.04 Favored Glycine 0 CA--C 1.532 1.109 0 N-CA-C 116.282 1.273 . . . . 0.0 116.282 172.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.7 104.02 3.25 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.844 1.322 . . . . 0.0 111.25 178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.75 11.59 4.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.065 1.346 . . . . 0.0 114.089 -175.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.418 1.487 . . . . 0.0 112.508 179.496 . . . . . . . . 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 1.631 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.5 p -77.12 44.95 0.42 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.049 1.739 . . . . 0.0 112.357 172.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 m -82.89 -16.99 45.37 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.308 1.843 . . . . 0.0 114.678 -168.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.54 167.46 54.78 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.588 1.09 . . . . 0.0 113.74 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -147.24 -69.32 0.24 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.982 0.913 . . . . 0.0 112.292 177.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m 53.55 21.98 2.77 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.817 1.647 . . . . 0.0 115.325 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.74 170.96 55.06 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 124.527 1.061 . . . . 0.0 114.581 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -111.0 144.12 40.6 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.046 1.739 . . . . 0.0 109.81 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.1 t -126.54 140.46 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 CA-C-N 119.463 1.029 . . . . 0.0 112.995 -169.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 35.2 t -59.24 133.47 56.12 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.823 1.649 . . . . 0.0 112.184 175.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.47 -5.16 57.66 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.677 0.791 . . . . 0.0 112.695 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.98 -52.31 2.79 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.014 1.326 . . . . 0.0 111.855 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 17.8 p -110.88 -1.14 16.6 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 115.794 1.775 . . . . 0.0 115.794 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.276 9.5 mp 59.83 28.15 17.59 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.063 1.745 . . . . 0.0 115.108 173.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -84.7 141.28 30.69 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 126.566 1.947 . . . . 0.0 112.436 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -92.8 146.26 23.78 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.129 1.372 . . . . 0.0 113.287 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -135.81 156.36 48.92 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.931 2.492 . . . . 0.0 112.229 -177.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -69.5 -28.42 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.034 1.334 . . . . 0.0 113.613 -178.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 p -145.68 162.8 36.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.098 0.959 . . . . 0.0 112.802 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -61.35 -29.82 70.13 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.987 0.915 . . . . 0.0 112.5 170.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mm -70.9 -44.18 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.256 1.022 . . . . 0.0 111.184 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.2 mmm-85 -66.02 -35.91 81.83 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 118.715 0.689 . . . . 0.0 111.461 176.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.99 -50.89 68.97 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.554 1.142 . . . . 0.0 111.246 171.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -58.4 -49.21 78.1 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.291 -0.881 . . . . 0.0 111.454 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -59.77 -40.45 88.25 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.036 0.934 . . . . 0.0 112.344 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.8 t60 -55.26 -47.04 76.05 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.594 -0.691 . . . . 0.0 111.737 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 75.9 mt -61.82 -38.77 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 122.173 -0.329 . . . . 0.0 110.442 -177.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.5 mmm-85 -72.0 -38.25 69.68 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 121.247 -0.908 . . . . 0.0 112.391 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -70.59 -37.79 73.96 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.922 0.889 . . . . 0.0 113.359 -176.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.67 -29.9 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -98.86 -13.55 20.02 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 118.613 0.642 . . . . 0.0 112.317 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 57.91 40.46 93.2 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.436 1.493 . . . . 0.0 115.608 173.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.8 155.17 20.04 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 122.792 1.282 . . . . 0.0 112.71 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.94 12.45 36.1 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 126.722 2.009 . . . . 0.0 114.862 -171.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 125.736 1.614 . . . . 0.0 113.502 -177.594 . . . . . . . . 0 0 . 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 1.593 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -86.11 -5.75 59.15 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -175.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 m -74.02 -18.78 60.8 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -172.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.11 159.9 17.12 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.711 1.148 . . . . 0.0 113.454 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 m 54.88 27.93 9.73 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 125.637 1.575 . . . . 0.0 114.717 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 m -78.37 -10.09 59.54 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -171.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.02 162.53 35.67 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.422 1.487 . . . . 0.0 113.855 -174.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -93.14 140.85 29.07 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.72 1.208 . . . . 0.0 110.357 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.58 140.58 46.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 CA-C-N 119.124 0.875 . . . . 0.0 112.248 -174.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 36.9 t -60.69 133.4 56.06 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.654 1.582 . . . . 0.0 112.156 174.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.17 -5.55 56.26 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.722 0.809 . . . . 0.0 112.77 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mp -111.64 -53.04 2.74 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.98 1.312 . . . . 0.0 111.916 -172.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.4 p -108.81 -2.0 18.83 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.275 9.6 mp 59.57 27.43 16.63 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.101 1.76 . . . . 0.0 114.839 173.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -82.97 141.05 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.796 2.038 . . . . 0.0 112.197 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -93.57 147.18 23.23 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.102 1.361 . . . . 0.0 113.379 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -136.25 153.39 51.22 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 127.097 2.159 . . . . 0.0 113.043 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.6 -32.16 55.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 125.875 1.67 . . . . 0.0 113.245 177.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.0 p -144.34 160.55 40.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 124.166 0.987 . . . . 0.0 112.499 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.8 p -61.64 -28.98 69.76 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.628 0.771 . . . . 0.0 112.348 169.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -70.24 -44.5 77.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.944 0.898 . . . . 0.0 110.69 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -62.92 -38.14 89.78 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 118.878 0.763 . . . . 0.0 111.061 176.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 tp -65.44 -47.91 74.56 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.561 1.145 . . . . 0.0 111.581 174.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -55.82 -54.29 46.27 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.116 0.871 . . . . 0.0 110.948 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.7 m -61.29 -35.49 77.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.1 0.96 . . . . 0.0 113.15 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -58.09 -45.33 87.36 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.115 0.871 . . . . 0.0 111.932 170.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 62.9 mt -63.26 -40.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 118.989 0.813 . . . . 0.0 110.459 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -67.89 -40.8 83.46 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 118.951 0.796 . . . . 0.0 112.318 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -76.74 -38.74 53.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.839 1.656 . . . . 0.0 113.372 -176.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -106.11 -34.5 2.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 124.354 1.061 . . . . 0.0 112.947 -170.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -107.01 -16.41 14.45 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.53 32.35 82.91 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 124.627 1.108 . . . . 0.0 115.303 174.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.88 125.37 22.77 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.536 1.134 . . . . 0.0 111.383 179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.79 9.48 21.6 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.731 1.612 . . . . 0.0 114.653 -174.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.593 1.557 . . . . 0.0 112.735 -178.387 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -79.58 -14.47 58.81 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -174.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 m -67.45 146.96 53.47 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.72 1.208 . . . . 0.0 113.386 -177.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.52 173.04 51.98 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.339 0.971 . . . . 0.0 114.012 174.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 m -65.18 148.83 50.98 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.555 1.142 . . . . 0.0 113.008 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 p -75.43 157.76 33.64 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.818 1.247 . . . . 0.0 113.16 177.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.92 160.42 53.98 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 124.182 0.896 . . . . 0.0 113.693 176.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -86.32 146.43 26.5 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.914 1.286 . . . . 0.0 110.082 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.9 t -132.69 139.63 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 120.017 1.28 . . . . 0.0 112.58 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.7 t -60.11 126.94 29.47 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.554 1.942 . . . . 0.0 111.91 174.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.47 -5.64 56.91 Favored 'General case' 0 CA--C 1.548 0.889 0 O-C-N 121.336 -0.853 . . . . 0.0 112.631 174.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.77 -48.99 4.3 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.037 1.735 . . . . 0.0 110.651 -173.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.1 p -123.96 -1.17 8.35 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 -177.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.302 9.0 mp 62.11 27.17 16.38 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.938 1.695 . . . . 0.0 115.348 174.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -81.48 140.92 34.31 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.776 2.03 . . . . 0.0 112.477 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -93.13 146.98 23.26 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 125.178 1.391 . . . . 0.0 113.377 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -136.84 152.14 49.93 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 127.519 2.328 . . . . 0.0 113.042 -175.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -71.99 -25.7 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 125.984 1.714 . . . . 0.0 113.774 178.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.1 t -147.48 150.33 34.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.033 1.333 . . . . 0.0 111.696 -175.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.9 p -61.15 -30.3 70.3 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.001 0.92 . . . . 0.0 112.432 172.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.84 -44.74 88.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 CA-C-N 119.349 0.977 . . . . 0.0 110.425 176.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -38.88 91.65 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.916 0.886 . . . . 0.0 111.221 178.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.4 tp -64.56 -51.72 61.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.583 1.153 . . . . 0.0 111.558 172.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -57.06 -44.35 82.94 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.212 -0.93 . . . . 0.0 112.172 -176.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 39.2 m -76.61 -31.13 57.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.303 1.041 . . . . 0.0 113.433 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.9 t60 -55.0 -42.31 72.36 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.248 0.931 . . . . 0.0 111.527 171.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.59 -36.07 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.74 -0.6 . . . . 0.0 110.987 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -75.62 -35.45 60.49 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.199 -0.938 . . . . 0.0 111.826 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -78.7 -35.01 45.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.235 1.014 . . . . 0.0 113.246 179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.9 t -108.83 -34.37 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 124.181 0.992 . . . . 0.0 113.204 -170.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -113.4 -9.07 13.39 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.208 1.003 . . . . 0.0 113.604 -176.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.37 25.71 72.15 Favored Glycine 0 CA--C 1.532 1.145 0 N-CA-C 116.713 1.445 . . . . 0.0 116.713 169.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.24 51.81 0.87 Allowed 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 119.085 1.442 . . . . 0.0 114.085 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -135.66 10.98 3.43 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.62 1.968 . . . . 0.0 113.81 -177.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 126.537 1.935 . . . . 0.0 112.752 -179.947 . . . . . . . . 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 1.481 1.688 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.9 m -64.9 -14.92 61.2 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -172.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.8 p -69.46 -22.02 63.67 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.366 1.466 . . . . 0.0 113.844 171.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.44 13.21 73.91 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.553 1.073 . . . . 0.0 115.248 -179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -128.02 157.83 39.58 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.654 1.582 . . . . 0.0 113.081 -177.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -133.6 3.21 3.54 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 -173.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.51 175.45 42.07 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.621 1.105 . . . . 0.0 113.299 178.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -89.25 144.0 26.42 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.008 1.323 . . . . 0.0 109.801 175.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.7 t -125.96 137.78 56.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 CA-C-N 119.46 1.027 . . . . 0.0 112.596 -173.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.3 t -64.77 114.02 4.19 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.625 1.97 . . . . 0.0 111.753 177.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.46 -8.92 21.54 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 174.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.74 -52.23 4.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.837 2.055 . . . . 0.0 111.069 -175.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.0 p -123.14 -1.49 8.74 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 116.846 2.165 . . . . 0.0 116.846 -173.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.267 53.2 mt 60.97 27.25 17.13 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.998 2.119 . . . . 0.0 115.748 179.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -86.34 140.2 30.27 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.266 1.827 . . . . 0.0 112.46 173.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -94.71 145.73 24.66 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.087 1.355 . . . . 0.0 113.277 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -135.5 154.05 51.53 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.457 2.303 . . . . 0.0 112.77 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.0 p -69.93 -25.45 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.95 1.7 . . . . 0.0 113.886 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.3 t -151.32 153.57 35.05 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.277 1.431 . . . . 0.0 111.494 -176.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.9 p -60.85 -33.11 72.56 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.054 0.941 . . . . 0.0 112.264 173.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.02 -44.23 95.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.959 0.904 . . . . 0.0 110.644 175.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -65.94 -35.65 81.2 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.516 1.126 . . . . 0.0 111.019 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 26.7 tp -68.45 -49.24 61.29 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.481 1.112 . . . . 0.0 112.135 170.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -54.2 -52.44 61.22 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.27 0.941 . . . . 0.0 111.528 -176.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.6 m -64.89 -32.64 74.45 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.014 0.926 . . . . 0.0 113.24 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -60.37 -41.65 94.19 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 119.017 0.826 . . . . 0.0 111.814 170.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 30.9 mt -63.83 -41.41 92.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 119.368 0.985 . . . . 0.0 110.703 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 39.1 mmm-85 -65.88 -41.37 91.66 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 121.629 -0.669 . . . . 0.0 112.179 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.6 tp10 -78.44 -38.25 41.69 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.634 1.574 . . . . 0.0 113.284 -175.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -105.82 -34.42 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.227 1.011 . . . . 0.0 112.969 -170.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -107.4 -15.49 14.61 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 61.51 31.1 76.38 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 124.296 0.951 . . . . 0.0 114.895 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.69 -25.98 67.75 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.906 1.447 . . . . 0.0 114.906 -170.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.58 132.36 12.34 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.776 1.63 . . . . 0.0 109.368 172.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 124.997 1.319 . . . . 0.0 113.831 177.61 . . . . . . . . 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 1.481 1.68 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 51.8 37.82 21.55 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 124.843 1.257 . . . . 0.0 112.747 -169.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 m -70.92 146.7 49.38 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.489 1.516 . . . . 0.0 113.049 -169.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.71 -138.72 44.79 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 123.668 0.652 . . . . 0.0 112.862 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.5 p -88.07 -4.55 58.76 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.167 1.387 . . . . 0.0 114.478 177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -70.77 148.48 47.88 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.622 1.169 . . . . 0.0 113.596 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.32 127.56 2.45 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.215 1.388 . . . . 0.0 113.573 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -131.8 154.97 48.57 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.199 1.8 . . . . 0.0 110.746 -175.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.4 t -133.49 139.29 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.869 0.867 . . . . 0.0 111.673 -179.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.0 t -65.09 118.38 9.08 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.083 1.753 . . . . 0.0 111.631 177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.18 -7.55 42.7 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 175.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.33 -52.14 4.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.569 1.948 . . . . 0.0 110.716 -174.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.6 p -122.61 -0.93 9.09 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 116.993 2.22 . . . . 0.0 116.993 -174.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . 0.278 3.1 mm? 63.04 21.06 12.68 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.663 1.985 . . . . 0.0 115.466 178.015 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -75.11 142.44 43.64 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.006 1.322 . . . . 0.0 112.436 169.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -88.49 150.68 22.99 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.975 1.31 . . . . 0.0 114.044 175.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -141.01 154.53 46.05 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 127.898 2.479 . . . . 0.0 112.632 -177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -72.23 -35.21 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.74 1.216 . . . . 0.0 113.207 177.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -141.39 161.76 37.12 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.449 1.1 . . . . 0.0 112.738 -177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.2 p -61.39 -32.99 72.93 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 123.637 0.775 . . . . 0.0 112.111 170.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.4 mm -65.67 -46.76 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 C-N-CA 123.99 0.916 . . . . 0.0 111.392 177.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -62.96 -35.88 81.62 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 118.416 0.553 . . . . 0.0 111.419 178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.9 tp -70.38 -47.32 61.46 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.307 1.043 . . . . 0.0 112.535 175.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -54.59 -50.84 67.07 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 121.117 -0.99 . . . . 0.0 111.849 -176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 58.3 m -70.7 -31.4 68.26 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 123.932 0.893 . . . . 0.0 112.962 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -58.3 -43.06 87.93 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.47 1.032 . . . . 0.0 111.123 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.5 mt -62.83 -38.62 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 118.778 0.717 . . . . 0.0 110.463 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.0 mmt-85 -71.15 -39.13 72.14 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 121.372 -0.83 . . . . 0.0 112.77 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.84 -34.48 51.86 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.4 t -108.96 -33.82 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.238 1.015 . . . . 0.0 113.208 -169.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -111.18 -12.23 14.15 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.94 28.59 73.79 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 124.914 1.245 . . . . 0.0 115.931 171.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.75 137.48 58.25 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 118.558 1.179 . . . . 0.0 112.074 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.56 8.34 12.05 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 126.114 1.766 . . . . 0.0 114.789 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 . . . . . 0 C--O 1.251 1.137 0 C-N-CA 126.117 1.767 . . . . 0.0 111.695 178.207 . . . . . . . . 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 1.48 1.587 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 p -77.8 163.15 26.36 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.824 1.25 . . . . 0.0 113.329 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.2 m -123.38 155.69 36.87 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 125.592 1.557 . . . . 0.0 111.882 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.55 157.66 52.89 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 124.224 0.916 . . . . 0.0 114.209 178.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.5 p -85.69 -1.66 57.4 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.492 1.517 . . . . 0.0 114.653 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 t -147.46 156.38 42.81 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.965 1.706 . . . . 0.0 111.422 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.51 118.71 0.67 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 125.349 1.452 . . . . 0.0 113.228 -176.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -133.24 149.6 51.98 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 126.124 1.77 . . . . 0.0 110.166 -175.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.57 139.13 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 CA-C-N 119.497 1.044 . . . . 0.0 111.994 -175.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' HA ' HD11 ' A' ' 23' ' ' LEU . 33.7 t -59.74 135.94 57.84 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.618 1.567 . . . . 0.0 111.804 175.105 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.15 -6.87 59.51 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.795 0.838 . . . . 0.0 112.639 175.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.75 -54.47 2.55 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.843 1.257 . . . . 0.0 111.863 -171.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.8 p -106.3 -1.19 23.7 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 178.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.8 mt 61.17 22.27 12.6 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.194 1.798 . . . . 0.0 115.448 176.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -78.3 141.27 38.61 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 126.007 1.723 . . . . 0.0 112.97 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -87.45 150.24 23.9 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.265 1.426 . . . . 0.0 113.901 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -139.95 154.73 47.27 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 128.38 2.672 . . . . 0.0 112.385 -177.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -69.91 -30.25 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.356 1.463 . . . . 0.0 113.555 177.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 t -147.12 151.1 36.27 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.132 1.373 . . . . 0.0 111.58 -173.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.1 p -59.04 -31.9 69.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.007 0.923 . . . . 0.0 112.15 172.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.04 -43.38 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 C-N-CA 123.854 0.862 . . . . 0.0 111.365 177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -62.56 -40.66 97.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.266 1.027 . . . . 0.0 110.915 176.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 10' ' ' CYS . 23.8 tp -66.3 -48.22 71.08 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.314 1.045 . . . . 0.0 111.739 174.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -58.04 -45.94 86.17 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.143 -0.973 . . . . 0.0 111.494 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 21.8 t -67.21 -35.61 79.96 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.889 0.876 . . . . 0.0 112.726 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.4 t60 -56.83 -45.99 81.98 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.373 -0.829 . . . . 0.0 111.586 170.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.86 -33.45 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 121.355 -0.841 . . . . 0.0 110.399 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.0 mmt-85 -77.25 -34.5 55.79 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.851 -1.156 . . . . 0.0 113.404 177.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -74.37 -33.81 63.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.921 1.688 . . . . 0.0 113.628 -174.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 p -131.3 -25.23 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 115.011 1.485 . . . . 0.0 115.011 -172.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -97.75 -12.95 21.7 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 171.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 55.86 33.63 60.38 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 125.616 1.579 . . . . 0.0 116.356 174.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.73 158.17 32.95 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 122.926 1.346 . . . . 0.0 112.818 -179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.13 125.31 10.04 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.147 2.179 . . . . 0.0 110.051 176.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 . . . . . 0 C--O 1.253 1.271 0 C-N-CA 126.48 1.912 . . . . 0.0 112.752 179.206 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_