data_2ltu_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 2ltu _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.536 0.409 0 CA-C-O 121.499 0.666 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.0 -30.5 71.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.393 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -43.14 87.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.129 0.972 . . . . 0.0 111.179 170.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.48 81.81 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.627 -0.67 . . . . 0.0 111.229 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.18 -47.82 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-N 118.606 0.639 . . . . 0.0 110.711 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.1 -44.16 95.05 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.716 0.807 . . . . 0.0 112.399 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.73 -40.9 97.89 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.531 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.78 -44.02 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.0 1.273 . . . . 0.0 110.564 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.86 -43.33 81.08 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.005 0.821 . . . . 0.0 112.991 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.43 -35.12 25.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -79.36 -42.85 24.69 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.295 0.952 . . . . 0.0 112.257 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -83.06 -22.99 33.35 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.563 1.545 . . . . 0.0 112.994 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.66 71.6 0.17 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.033 2.133 . . . . 0.0 111.039 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.9 p -157.86 179.67 8.98 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.736 . . . . 0.0 112.227 -172.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.1 p -102.76 155.07 18.57 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.516 1.526 . . . . 0.0 111.757 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -56.12 -42.76 77.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.418 0.687 . . . . 0.0 111.002 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -59.29 -33.65 71.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.857 0.863 . . . . 0.0 112.916 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.74 -42.64 67.02 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.591 0.632 . . . . 0.0 110.717 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.76 -48.45 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.088 0.555 . . . . 0.0 110.675 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 88.8 mtp -64.65 -37.58 88.05 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.239 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -53.41 -54.91 30.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.858 1.208 . . . . 0.0 112.212 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.1 m -67.94 -16.86 64.26 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.27 -22.71 21.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.606 1.162 . . . . 0.0 112.449 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.4 t80 . . . . . 0 N--CA 1.474 0.764 0 C-N-CA 124.709 1.204 . . . . 0.0 113.747 -171.354 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.01 147.2 51.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.155 0.982 . . . . 0.0 111.851 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -55.67 -34.83 65.35 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.31 -34.94 73.31 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.785 1.175 . . . . 0.0 112.36 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.01 -36.23 41.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.511 0.724 . . . . 0.0 112.139 174.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.95 -43.28 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.079 0.951 . . . . 0.0 110.094 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.89 77.79 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.261 0.937 . . . . 0.0 111.799 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.23 -45.43 79.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.869 0.868 . . . . 0.0 112.584 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -62.09 -49.91 74.04 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.253 -0.904 . . . . 0.0 112.457 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.43 -34.09 77.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.631 1.172 . . . . 0.0 112.343 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.73 -32.11 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.896 0.878 . . . . 0.0 111.397 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.92 -35.92 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.556 1.071 . . . . 0.0 111.195 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.92 -44.94 91.4 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.737 -1.227 . . . . 0.0 111.809 169.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.77 -56.01 27.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.086 0.954 . . . . 0.0 111.162 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -54.45 -35.64 63.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.776 2.431 . . . . 0.0 113.965 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 124.102 0.961 . . . . 0.0 112.776 175.508 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 121.04 0.448 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.06 -32.02 65.8 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.203 1.001 . . . . 0.0 112.888 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.51 -42.43 61.81 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.927 0.891 . . . . 0.0 111.719 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.85 84.28 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.748 -0.595 . . . . 0.0 110.439 171.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.3 -38.51 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.572 0.624 . . . . 0.0 111.462 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.38 89.21 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.356 0.663 . . . . 0.0 111.669 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.34 -47.18 74.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.544 0.738 . . . . 0.0 111.758 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.1 t -58.76 -42.64 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.461 1.028 . . . . 0.0 111.844 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -54.09 -44.87 71.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.864 0.865 . . . . 0.0 112.036 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.86 -53.0 7.99 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.248 1.019 . . . . 0.0 112.279 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -58.8 -46.97 86.36 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.601 1.16 . . . . 0.0 112.763 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -5.62 45.17 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.662 1.185 . . . . 0.0 113.964 -171.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 64.84 29.49 12.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.203 1.801 . . . . 0.0 113.198 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -151.72 0.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 127.097 2.159 . . . . 0.0 111.264 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.3 p -133.01 148.38 52.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.566 1.546 . . . . 0.0 111.143 174.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.22 -46.13 79.64 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.837 0.855 . . . . 0.0 111.167 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -62.2 -34.15 75.9 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.473 0.709 . . . . 0.0 112.628 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.37 -36.99 60.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.314 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.67 -43.24 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 118.5 0.591 . . . . 0.0 110.508 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 99.2 mtp -64.94 -39.42 93.47 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.874 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.12 -51.5 66.24 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.118 1.326 . . . . 0.0 113.54 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -63.54 -23.78 67.53 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.136 -0.977 . . . . 0.0 113.239 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -94.12 -16.54 23.66 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.766 1.626 . . . . 0.0 111.767 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.557 1.543 . . . . 0.0 110.414 169.268 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.6 145.37 54.0 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.13 -35.04 69.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.674 0.789 . . . . 0.0 112.97 -176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.7 mt -78.1 -31.21 49.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.596 1.089 . . . . 0.0 112.536 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.2 76.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.547 0.739 . . . . 0.0 111.494 169.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.78 -46.08 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 110.861 171.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.01 69.11 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.964 0.906 . . . . 0.0 111.714 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.97 -47.4 68.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.707 1.203 . . . . 0.0 112.893 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -61.83 -52.26 64.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.941 0.791 . . . . 0.0 112.0 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.43 -37.36 83.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.938 1.295 . . . . 0.0 112.441 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.53 -32.42 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.722 0.809 . . . . 0.0 111.228 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.26 -39.46 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.738 1.154 . . . . 0.0 110.812 169.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.48 -44.22 93.1 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.529 1.059 . . . . 0.0 111.375 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.87 -50.08 74.86 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.381 -0.824 . . . . 0.0 111.977 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -57.93 -39.47 78.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.507 1.523 . . . . 0.0 113.04 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 124.708 1.203 . . . . 0.0 113.671 -179.44 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 N--CA 1.47 0.569 0 CA-C-O 121.302 0.573 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -57.29 -31.3 65.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.62 1.168 . . . . 0.0 112.76 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -70.81 -46.23 63.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.837 0.744 . . . . 0.0 111.275 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.45 82.9 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.891 -0.506 . . . . 0.0 110.984 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 t -53.95 -49.0 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.068 0.849 . . . . 0.0 111.425 173.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -59.92 -40.14 87.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.156 0.982 . . . . 0.0 112.454 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -65.97 -37.73 86.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.432 1.015 . . . . 0.0 112.176 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.5 t -60.46 -43.21 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.101 1.319 . . . . 0.0 110.727 170.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.12 -39.95 83.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.318 0.508 . . . . 0.0 112.081 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.75 -55.14 8.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.623 1.169 . . . . 0.0 112.8 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.64 -46.52 53.59 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.354 -0.841 . . . . 0.0 112.789 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -88.08 -9.87 51.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.991 1.316 . . . . 0.0 114.238 -172.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 65.2 25.04 12.33 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.992 1.717 . . . . 0.0 114.139 171.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -115.6 156.19 26.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.299 1.839 . . . . 0.0 110.153 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -70.4 140.77 52.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.634 1.106 . . . . 0.0 111.833 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -36.44 74.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.001 0.92 . . . . 0.0 111.825 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -62.5 -36.06 81.36 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.181 1.392 . . . . 0.0 112.514 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -75.72 -36.87 59.85 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.543 1.065 . . . . 0.0 110.976 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -56.66 -48.86 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.945 0.498 . . . . 0.0 110.499 171.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.97 -41.67 99.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.402 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -55.36 -50.11 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.559 1.072 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.3 m -62.32 -23.84 66.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.002 1.273 . . . . 0.0 114.028 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.51 -21.89 22.7 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.695 1.198 . . . . 0.0 112.769 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 124.563 1.145 . . . . 0.0 113.729 -172.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.66 145.43 54.63 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.567 1.147 . . . . 0.0 111.724 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -53.14 -35.77 60.08 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.715 1.206 . . . . 0.0 113.074 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.4 mt -76.41 -31.8 58.15 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.87 1.214 . . . . 0.0 112.671 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.6 62.85 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.312 0.645 . . . . 0.0 111.85 172.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.77 -43.98 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.259 1.024 . . . . 0.0 110.588 169.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.04 78.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.926 0.785 . . . . 0.0 111.586 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.45 -46.45 83.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.224 0.92 . . . . 0.0 112.894 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -57.85 -47.92 81.3 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.132 0.878 . . . . 0.0 112.219 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.24 -37.13 86.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.512 1.125 . . . . 0.0 112.156 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -76.91 -32.37 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.052 0.941 . . . . 0.0 112.303 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -61.59 -41.95 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.297 0.953 . . . . 0.0 109.064 168.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -66.22 -40.23 90.16 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.741 0.701 . . . . 0.0 112.666 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.4 -55.42 35.08 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.229 -0.919 . . . . 0.0 110.381 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -56.52 -35.83 68.51 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.882 2.073 . . . . 0.0 113.85 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 . . . . . 0 N--CA 1.472 0.665 0 C-N-CA 124.733 1.213 . . . . 0.0 113.746 179.117 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.538 0.485 0 CA-C-O 121.689 0.757 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.8 -37.19 75.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.149 1.38 . . . . 0.0 112.958 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -67.3 -41.09 85.96 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.09 0.556 . . . . 0.0 111.675 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.97 79.57 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.381 -0.825 . . . . 0.0 110.897 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -60.44 -32.51 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.304 1.842 . . . . 0.0 112.771 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -86.13 -37.64 18.57 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.316 0.962 . . . . 0.0 112.998 173.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.24 -39.6 68.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.018 0.826 . . . . 0.0 112.696 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -51.28 -34.2 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.892 1.277 . . . . 0.0 113.868 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.06 -40.27 88.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.741 0.816 . . . . 0.0 112.085 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -83.12 -52.82 6.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.127 0.971 . . . . 0.0 111.18 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.67 98.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.42 1.488 . . . . 0.0 112.34 -172.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -102.08 -4.84 25.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.198 1.399 . . . . 0.0 113.799 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 65.66 26.63 11.47 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.089 1.756 . . . . 0.0 113.646 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.93 -157.24 0.6 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.605 1.962 . . . . 0.0 111.986 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.19 144.94 49.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.267 1.027 . . . . 0.0 111.656 172.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -50.98 -48.05 61.29 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.094 1.358 . . . . 0.0 110.638 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.17 -39.84 83.74 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -79.3 -31.13 43.19 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.96 0.8 . . . . 0.0 112.046 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.57 -51.28 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.466 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.23 -45.61 93.83 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.936 0.494 . . . . 0.0 111.131 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -55.76 -45.68 78.05 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.398 -0.814 . . . . 0.0 111.903 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -62.95 -27.44 69.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.915 -1.116 . . . . 0.0 113.284 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -84.23 -21.74 31.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.142 0.977 . . . . 0.0 112.492 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 124.238 1.015 . . . . 0.0 113.653 -173.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.94 149.55 44.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.685 1.194 . . . . 0.0 111.724 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -50.6 -36.07 33.25 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.339 1.056 . . . . 0.0 113.191 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -72.38 -40.02 67.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.223 0.92 . . . . 0.0 112.015 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.62 74.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.488 0.715 . . . . 0.0 111.886 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.0 t -64.51 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.305 1.042 . . . . 0.0 111.176 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.53 73.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.775 1.17 . . . . 0.0 111.925 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -53.43 -47.67 69.44 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.159 0.984 . . . . 0.0 112.262 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.48 -44.81 95.5 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.171 -0.956 . . . . 0.0 112.939 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.99 -34.91 79.57 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.461 1.104 . . . . 0.0 112.203 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.51 -37.0 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.821 0.848 . . . . 0.0 111.359 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.87 -45.04 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.285 0.948 . . . . 0.0 110.536 169.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.01 -39.96 95.28 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.366 0.985 . . . . 0.0 112.641 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.5 -49.77 75.41 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.85 0.86 . . . . 0.0 111.05 172.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.65 -36.94 74.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.541 1.537 . . . . 0.0 113.176 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 126.221 1.808 . . . . 0.0 113.165 179.314 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 120.97 0.414 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.85 -38.74 76.21 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.912 174.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.22 -38.52 89.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.942 0.792 . . . . 0.0 111.349 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 -53.83 42.5 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.807 -0.558 . . . . 0.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.94 -39.85 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.523 -0.736 . . . . 0.0 111.903 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -62.28 -45.77 91.8 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.076 0.95 . . . . 0.0 112.151 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -62.81 -39.52 94.52 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 118.131 -0.937 . . . . 0.0 112.418 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.18 -48.82 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.281 1.401 . . . . 0.0 110.483 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.82 -48.38 67.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.766 0.826 . . . . 0.0 111.896 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -70.09 -56.78 6.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.628 1.171 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.45 -42.15 65.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.777 1.231 . . . . 0.0 112.794 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -84.96 -15.2 45.12 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.377 1.071 . . . . 0.0 112.776 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 66.43 55.92 0.8 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.175 1.79 . . . . 0.0 112.254 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.6 m -145.05 170.82 15.44 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.553 1.941 . . . . 0.0 111.207 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -75.48 146.59 40.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.63 0.772 . . . . 0.0 111.764 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.17 -42.17 94.41 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.511 0.725 . . . . 0.0 110.691 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 p -55.81 -34.61 65.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.393 1.077 . . . . 0.0 113.115 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.02 -23.85 44.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.08 0.855 . . . . 0.0 112.543 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.0 -46.84 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.79 0.723 . . . . 0.0 109.175 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.0 mmm -62.25 -48.24 80.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -57.45 -45.31 84.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.742 0.701 . . . . 0.0 111.586 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 m -61.18 -22.2 64.51 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.33 -18.91 18.86 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.809 1.244 . . . . 0.0 112.886 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 124.482 1.113 . . . . 0.0 112.921 177.589 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.27 141.98 57.83 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 110.647 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -35.5 45.59 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.61 -32.2 41.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.204 0.911 . . . . 0.0 113.063 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.23 71.8 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.655 0.661 . . . . 0.0 111.389 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.29 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 110.223 169.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.06 82.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.753 1.161 . . . . 0.0 112.308 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.44 -45.13 72.99 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.6 -0.687 . . . . 0.0 112.141 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -59.64 -46.91 87.58 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.078 0.854 . . . . 0.0 112.513 173.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.55 -38.87 92.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.214 0.915 . . . . 0.0 112.777 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.85 -41.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 119.292 0.951 . . . . 0.0 111.728 173.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.61 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.586 0.754 . . . . 0.0 110.499 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.536 1.134 . . . . 0.0 112.289 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.1 -55.98 28.02 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.673 0.789 . . . . 0.0 110.901 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -59.02 -44.74 91.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.988 0.915 . . . . 0.0 112.664 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 . . . . . 0 N--CA 1.471 0.601 0 C-N-CA 124.35 1.06 . . . . 0.0 113.744 -177.121 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 121.729 0.776 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.09 -37.9 84.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.555 1.142 . . . . 0.0 112.264 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.8 -43.86 97.68 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.635 0.774 . . . . 0.0 111.198 173.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.68 72.75 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.698 -0.626 . . . . 0.0 110.89 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.77 -42.18 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.826 0.739 . . . . 0.0 111.51 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.69 -45.44 93.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.63 0.772 . . . . 0.0 111.859 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.78 -39.59 94.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.118 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.72 -43.25 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.838 1.653 . . . . 0.0 111.409 173.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -56.4 -45.26 80.7 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.457 0.703 . . . . 0.0 111.245 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.77 -54.07 18.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.268 1.027 . . . . 0.0 112.464 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -66.94 -48.97 66.97 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.635 1.574 . . . . 0.0 112.86 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -93.79 -10.67 33.37 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 114.353 -169.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 69.97 24.85 5.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.37 1.868 . . . . 0.0 114.135 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -103.47 -178.2 3.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.98 1.312 . . . . 0.0 110.903 170.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -92.57 150.72 20.56 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.369 -0.832 . . . . 0.0 111.236 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -56.51 -39.23 72.95 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.088 0.555 . . . . 0.0 110.913 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 p -65.26 -37.92 88.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.769 0.828 . . . . 0.0 113.143 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -75.67 -36.29 60.16 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.287 0.949 . . . . 0.0 111.26 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.99 -46.73 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.892 0.477 . . . . 0.0 110.799 171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.8 mtt -61.14 -37.19 81.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.117 -0.944 . . . . 0.0 112.518 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -54.26 -54.62 37.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.341 1.428 . . . . 0.0 112.729 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -65.1 -23.42 67.15 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.204 -0.935 . . . . 0.0 113.342 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.12 -22.32 27.15 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.067 1.347 . . . . 0.0 111.576 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.9 t80 . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 125.582 1.553 . . . . 0.0 111.261 173.169 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.67 142.09 53.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.835 1.254 . . . . 0.0 111.842 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.03 -34.48 65.89 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -75.25 -33.7 61.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.633 1.106 . . . . 0.0 111.881 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.7 66.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.311 0.645 . . . . 0.0 111.91 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.39 -49.47 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.029 0.932 . . . . 0.0 109.828 170.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.05 74.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.693 0.797 . . . . 0.0 111.783 174.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -57.61 -48.44 79.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.852 0.751 . . . . 0.0 113.002 173.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -60.94 -44.38 97.34 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.671 1.123 . . . . 0.0 112.515 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.39 -40.64 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.749 1.22 . . . . 0.0 112.061 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -77.41 -31.97 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.072 0.949 . . . . 0.0 111.976 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.623 1.101 . . . . 0.0 109.563 169.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.99 -42.4 99.1 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.607 0.64 . . . . 0.0 111.993 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.68 -56.98 15.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.955 0.502 . . . . 0.0 110.76 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -52.05 -38.84 58.43 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.109 1.763 . . . . 0.0 113.173 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.037 1.335 . . . . 0.0 113.393 -178.682 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.536 0.409 0 CA-C-O 121.541 0.686 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.16 -35.58 75.65 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.127 0.971 . . . . 0.0 112.639 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.85 -39.73 87.69 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.107 0.963 . . . . 0.0 111.625 174.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.1 76.98 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.443 -0.785 . . . . 0.0 111.546 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.53 -42.64 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.387 1.075 . . . . 0.0 111.139 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.13 -47.36 83.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.847 0.859 . . . . 0.0 111.58 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.39 -47.88 71.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 117.906 -1.045 . . . . 0.0 113.296 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.9 -31.64 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 120.693 1.588 . . . . 0.0 113.051 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.31 -37.05 69.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.291 1.036 . . . . 0.0 112.059 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -91.72 -52.39 4.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.021 1.328 . . . . 0.0 111.063 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -53.45 -46.78 69.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.622 1.569 . . . . 0.0 112.352 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -101.85 -4.64 25.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.025 1.33 . . . . 0.0 114.152 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 63.41 30.42 15.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.755 1.622 . . . . 0.0 113.369 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.72 -148.87 0.39 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.385 1.874 . . . . 0.0 111.727 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -131.07 148.06 52.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.605 1.162 . . . . 0.0 110.959 170.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -55.65 -42.24 74.76 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.787 0.835 . . . . 0.0 110.168 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -60.07 -42.14 93.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.392 1.077 . . . . 0.0 112.75 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -80.01 -30.12 39.54 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.139 0.881 . . . . 0.0 112.191 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.91 -49.74 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.928 -0.483 . . . . 0.0 110.088 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtm -62.17 -40.88 97.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.764 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -52.21 -56.45 14.57 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.122 0.874 . . . . 0.0 110.84 172.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -61.87 -21.61 64.83 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -87.47 -25.38 23.76 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.735 0.814 . . . . 0.0 113.133 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -174.795 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.1 145.84 55.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.477 1.111 . . . . 0.0 111.546 169.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -47.82 -38.64 16.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.043 1.337 . . . . 0.0 114.188 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -76.21 -37.22 58.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.39 0.995 . . . . 0.0 112.14 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.58 73.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.305 0.642 . . . . 0.0 111.402 171.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -57.55 -46.18 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.256 1.023 . . . . 0.0 110.999 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.21 75.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.502 1.046 . . . . 0.0 112.272 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.39 -47.21 76.21 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.07 0.948 . . . . 0.0 112.36 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.55 -42.65 95.56 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.101 -0.999 . . . . 0.0 113.321 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.48 -36.62 84.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.602 1.161 . . . . 0.0 111.96 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.84 -32.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.473 0.709 . . . . 0.0 111.489 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -68.9 -35.94 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.328 0.967 . . . . 0.0 111.541 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.42 -45.08 89.07 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.664 -1.272 . . . . 0.0 111.97 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.11 -54.3 48.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.119 0.967 . . . . 0.0 111.229 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -54.91 -36.33 65.09 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.386 2.275 . . . . 0.0 113.921 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 0.0 113.194 176.709 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.6 -21.81 63.07 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -84.21 -40.59 17.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.351 0.66 . . . . 0.0 112.443 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.83 83.67 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.245 -0.909 . . . . 0.0 111.172 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.78 -31.51 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.665 1.186 . . . . 0.0 111.517 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.34 -49.26 51.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.186 -0.946 . . . . 0.0 111.121 169.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.33 -45.31 76.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.76 -24.37 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.027 1.331 . . . . 0.0 113.517 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -65.42 -43.18 91.32 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 118.451 0.569 . . . . 0.0 112.14 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -91.29 -32.77 15.6 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.667 0.787 . . . . 0.0 112.831 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -71.59 -39.61 70.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.079 1.352 . . . . 0.0 112.156 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.81 -2.97 19.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.141 1.377 . . . . 0.0 114.535 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 64.71 28.22 13.06 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.69 1.596 . . . . 0.0 113.911 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.3 m -118.07 159.7 22.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.507 1.923 . . . . 0.0 110.39 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 p -76.37 152.1 36.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 120.604 -1.31 . . . . 0.0 111.584 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -56.41 -44.68 80.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.087 0.555 . . . . 0.0 110.347 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.9 p -66.15 -27.39 67.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.59 -42.64 70.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.238 0.926 . . . . 0.0 110.552 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.03 -37.56 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.841 -0.537 . . . . 0.0 111.776 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -41.8 77.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.522 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -57.39 -48.18 79.75 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.717 1.144 . . . . 0.0 112.586 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 m -69.65 -12.33 61.55 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -97.7 -16.17 20.05 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.109 1.364 . . . . 0.0 112.314 172.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 t80 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 126.707 2.003 . . . . 0.0 112.996 -178.191 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 CA--C 1.545 0.781 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.05 150.41 42.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.677 1.191 . . . . 0.0 110.912 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -48.58 -36.55 15.84 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.99 -36.74 40.84 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.994 0.815 . . . . 0.0 112.098 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.61 84.31 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.991 0.516 . . . . 0.0 111.363 171.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.53 -43.97 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.729 1.212 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.56 71.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.791 1.178 . . . . 0.0 111.874 173.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -54.13 -48.91 70.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.136 0.574 . . . . 0.0 111.779 171.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.51 -46.08 91.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.167 -0.958 . . . . 0.0 112.387 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.8 -36.1 82.05 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.581 1.152 . . . . 0.0 111.692 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.01 -37.46 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.592 0.757 . . . . 0.0 111.438 175.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.3 mm -61.69 -42.53 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.987 0.915 . . . . 0.0 110.939 169.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.85 -46.1 89.48 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.977 0.808 . . . . 0.0 111.315 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -57.32 -55.33 36.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.207 -0.933 . . . . 0.0 110.899 172.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -55.28 -51.23 67.34 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.538 1.935 . . . . 0.0 114.096 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 . . . . . 0 N--CA 1.476 0.841 0 C-N-CA 124.231 1.012 . . . . 0.0 113.602 -170.469 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.48 -30.86 68.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.721 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -68.89 -44.57 72.95 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.23 0.612 . . . . 0.0 111.184 174.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.4 85.41 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.398 -0.814 . . . . 0.0 111.375 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -57.37 -45.0 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.164 0.893 . . . . 0.0 111.27 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.36 -46.1 86.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.145 0.978 . . . . 0.0 111.995 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.99 -47.77 76.33 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.635 -0.698 . . . . 0.0 112.099 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 87.2 t -55.02 -38.1 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.961 1.304 . . . . 0.0 111.079 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.1 t -59.83 -34.95 73.75 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.16 -52.36 5.1 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.805 0.842 . . . . 0.0 111.657 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.44 -39.85 94.62 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.851 1.661 . . . . 0.0 112.956 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -103.46 -3.54 25.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.257 1.423 . . . . 0.0 113.964 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 63.79 26.93 14.53 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.82 1.648 . . . . 0.0 114.097 170.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.5 m -111.64 164.75 12.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.278 1.831 . . . . 0.0 111.592 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -77.26 150.78 35.31 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.157 -0.964 . . . . 0.0 110.705 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -55.5 -44.39 76.52 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.512 0.725 . . . . 0.0 111.079 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -58.95 -29.17 66.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.701 1.2 . . . . 0.0 113.386 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.91 -34.79 66.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.184 0.902 . . . . 0.0 111.415 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.54 -39.63 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.087 0.555 . . . . 0.0 110.237 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.8 mtt -65.9 -47.18 75.66 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.67 0.788 . . . . 0.0 111.841 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -50.42 -56.05 13.15 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.526 1.13 . . . . 0.0 112.796 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 m -68.82 -14.42 63.02 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -95.44 -22.36 17.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.57 1.148 . . . . 0.0 112.545 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 113.183 -176.409 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.46 151.07 48.02 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.822 1.249 . . . . 0.0 112.488 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -52.26 -37.77 56.33 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.762 1.225 . . . . 0.0 114.019 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mt -71.64 -37.4 70.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.428 1.013 . . . . 0.0 112.242 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.95 68.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.095 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.73 -44.83 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.53 1.132 . . . . 0.0 110.711 171.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.23 -50.29 71.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.684 1.129 . . . . 0.0 111.755 172.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.02 -49.97 65.2 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.302 0.641 . . . . 0.0 112.306 172.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.27 -47.12 87.46 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.047 0.84 . . . . 0.0 112.24 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -32.57 74.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.778 1.231 . . . . 0.0 112.405 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.9 mt -79.84 -34.81 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.763 0.825 . . . . 0.0 111.424 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.26 -44.98 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.954 0.901 . . . . 0.0 109.404 169.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.35 -44.49 91.3 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.906 0.775 . . . . 0.0 111.909 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -57.19 -44.23 83.41 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.723 0.692 . . . . 0.0 110.955 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -64.42 -45.43 87.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.698 1.999 . . . . 0.0 113.148 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? . . . . . 0 N--CA 1.474 0.737 0 C-N-CA 124.937 1.295 . . . . 0.0 113.433 -172.273 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 C--O 1.238 0.489 0 CA-C-O 121.67 0.748 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.65 -31.18 66.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.02 0.928 . . . . 0.0 112.271 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.61 -40.6 63.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.85 0.75 . . . . 0.0 112.031 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -52.35 65.45 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 172.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.54 -37.46 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.58 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -57.01 -50.43 72.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.46 -51.46 69.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.594 0.634 . . . . 0.0 111.238 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.83 -42.64 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.462 1.028 . . . . 0.0 111.991 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -53.51 -51.28 63.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.955 0.902 . . . . 0.0 112.482 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.58 -29.69 16.79 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.9 -43.49 68.2 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.137 -0.977 . . . . 0.0 111.853 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -93.64 -14.85 25.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.501 1.12 . . . . 0.0 113.733 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.69 71.51 0.17 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.929 2.092 . . . . 0.0 111.583 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.8 t -145.51 -146.58 0.19 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.894 1.678 . . . . 0.0 110.974 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.4 p -134.31 149.73 50.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.249 1.82 . . . . 0.0 110.575 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.01 -43.04 73.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 111.291 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -62.67 -43.0 99.92 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.782 0.833 . . . . 0.0 112.539 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.87 -38.88 76.54 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.973 0.806 . . . . 0.0 111.403 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.01 -46.97 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 122.945 0.498 . . . . 0.0 110.945 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtt -61.33 -41.23 96.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.299 0.64 . . . . 0.0 112.133 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -56.31 -52.36 64.83 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.301 0.955 . . . . 0.0 111.796 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -63.59 -19.88 65.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.588 1.54 . . . . 0.0 114.263 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.9 -24.94 24.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.939 . . . . 0.0 112.664 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.2 t80 . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -174.341 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.9 148.97 50.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.504 1.121 . . . . 0.0 112.201 172.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -54.05 -35.0 61.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.479 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -74.24 -32.74 63.09 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.055 1.298 . . . . 0.0 112.572 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -36.76 58.31 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.342 0.657 . . . . 0.0 111.934 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.69 -44.94 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.121 0.968 . . . . 0.0 110.249 169.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.01 72.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.797 0.839 . . . . 0.0 111.522 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -52.92 -47.58 67.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.986 0.914 . . . . 0.0 113.109 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -61.44 -50.18 73.84 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.417 -0.802 . . . . 0.0 112.603 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.77 -39.44 91.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.854 1.261 . . . . 0.0 112.345 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.58 -31.83 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.954 0.902 . . . . 0.0 111.078 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.81 -41.25 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.509 1.049 . . . . 0.0 110.745 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.9 -41.23 95.67 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.336 0.971 . . . . 0.0 112.08 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.62 -56.35 20.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.5 0.72 . . . . 0.0 110.886 170.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.23 -39.2 56.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.511 1.524 . . . . 0.0 113.148 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 125.449 1.499 . . . . 0.0 113.842 -178.566 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.39 -32.93 73.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.165 0.986 . . . . 0.0 112.331 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.51 -39.63 94.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.608 0.763 . . . . 0.0 111.495 171.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.66 86.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.889 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.29 -46.38 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 119.434 1.016 . . . . 0.0 110.429 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -59.35 -43.87 92.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.647 0.779 . . . . 0.0 111.657 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -61.79 -42.26 98.77 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.179 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.77 -43.3 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.85 1.659 . . . . 0.0 111.498 173.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.66 -52.55 59.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.449 0.568 . . . . 0.0 112.452 176.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.61 -35.8 29.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -84.82 -44.21 13.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.135 0.974 . . . . 0.0 112.079 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -84.55 -12.9 53.24 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 67.54 70.97 0.35 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.365 1.866 . . . . 0.0 111.326 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -160.33 172.57 17.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.443 1.897 . . . . 0.0 110.237 -171.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.1 p -91.85 148.75 21.99 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 120.42 1.464 . . . . 0.0 112.067 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.79 -36.68 72.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.341 0.657 . . . . 0.0 111.183 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -63.59 -40.62 97.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.825 0.85 . . . . 0.0 112.532 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.34 -41.31 80.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.755 -0.591 . . . . 0.0 111.143 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.46 -48.55 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.375 0.67 . . . . 0.0 111.107 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 81.1 mmm -63.69 -35.39 80.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 117.963 -1.018 . . . . 0.0 113.411 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -51.37 -57.59 8.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.138 1.336 . . . . 0.0 112.402 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 m -63.94 -26.22 68.49 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.208 -0.933 . . . . 0.0 113.216 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -83.49 -22.37 32.53 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.261 1.424 . . . . 0.0 111.659 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.3 t80 . . . . . 0 CA--C 1.54 0.594 0 C-N-CA 125.419 1.488 . . . . 0.0 110.952 172.406 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -68.32 143.36 55.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.715 1.206 . . . . 0.0 112.019 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.48 -33.51 68.07 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.77 -27.85 40.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.945 1.248 . . . . 0.0 112.554 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.76 -37.58 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.905 0.775 . . . . 0.0 111.564 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.81 -49.97 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.546 1.139 . . . . 0.0 109.671 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.79 -47.84 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 171.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -58.37 -44.82 89.02 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.83 0.852 . . . . 0.0 113.164 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -61.85 -52.35 64.51 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.4 -0.813 . . . . 0.0 111.369 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.81 -33.89 72.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.253 1.421 . . . . 0.0 111.985 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.2 mt -78.39 -31.16 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.38 1.072 . . . . 0.0 112.238 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.0 -39.97 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.075 1.307 . . . . 0.0 109.689 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.45 -44.77 92.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.613 0.642 . . . . 0.0 111.127 171.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -57.01 -57.24 13.43 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.756 1.162 . . . . 0.0 111.452 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -53.7 -38.42 64.23 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.231 2.212 . . . . 0.0 114.541 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.898 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 . . . . . 0 C--O 1.241 0.624 0 CA-C-O 121.245 0.545 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.68 -34.41 75.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.692 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -71.26 -37.41 71.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.113 0.869 . . . . 0.0 112.911 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.45 -49.21 69.98 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.012 0.823 . . . . 0.0 111.179 171.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.26 -44.85 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.68 0.673 . . . . 0.0 111.551 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -61.12 -42.86 99.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.297 1.039 . . . . 0.0 112.777 172.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.07 -53.75 53.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.376 173.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.2 t -52.15 -37.46 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 CA-C-N 119.663 1.119 . . . . 0.0 111.913 -174.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -51.39 -51.67 52.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.957 0.903 . . . . 0.0 112.876 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.48 -33.58 13.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.76 -41.24 62.73 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.924 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -99.2 -14.32 19.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.805 1.242 . . . . 0.0 114.002 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 70.81 74.63 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.654 1.982 . . . . 0.0 111.042 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -155.55 -177.95 6.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.931 1.692 . . . . 0.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -93.01 141.6 28.22 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.92 91.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.388 0.614 . . . . 0.0 112.516 -169.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.0 m -61.72 -28.64 69.56 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.73 1.212 . . . . 0.0 112.829 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -71.36 -30.45 66.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.399 -0.813 . . . . 0.0 112.047 173.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -66.32 -46.73 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.914 0.886 . . . . 0.0 109.516 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -59.55 -45.85 90.59 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.6 0.76 . . . . 0.0 110.84 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -55.04 -51.82 65.1 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.63 0.772 . . . . 0.0 112.339 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.7 p -69.23 -15.52 63.39 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.93 -23.79 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.289 1.035 . . . . 0.0 112.116 172.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 t80 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 124.901 1.281 . . . . 0.0 113.311 -175.426 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.12 146.74 42.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 112.276 170.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.56 -37.47 70.6 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.792 0.837 . . . . 0.0 113.176 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.25 -37.27 61.08 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.418 1.008 . . . . 0.0 111.422 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.75 -42.65 90.68 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.825 -0.547 . . . . 0.0 111.648 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.27 -44.98 93.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.627 1.171 . . . . 0.0 110.817 171.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.13 80.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.742 1.155 . . . . 0.0 112.136 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -55.22 -49.06 72.94 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.765 1.226 . . . . 0.0 111.905 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -62.03 -46.03 90.96 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.63 -0.669 . . . . 0.0 112.664 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.37 -35.53 80.71 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.33 1.052 . . . . 0.0 112.737 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -72.58 -38.36 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.152 0.981 . . . . 0.0 111.23 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.57 -43.11 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.727 0.694 . . . . 0.0 110.68 171.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.11 -52.13 66.66 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.414 0.686 . . . . 0.0 111.677 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.2 -40.56 96.49 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.011 -1.056 . . . . 0.0 112.189 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -59.67 -40.76 88.88 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.152 0.887 . . . . 0.0 112.706 171.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 124.218 1.007 . . . . 0.0 113.318 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.96 -36.47 83.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.64 0.776 . . . . 0.0 112.346 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.57 -41.52 98.39 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.065 0.946 . . . . 0.0 111.324 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -49.09 74.44 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.602 -0.687 . . . . 0.0 110.934 173.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.4 t -57.02 -43.23 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.313 0.96 . . . . 0.0 111.296 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -58.22 -47.99 81.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.745 0.818 . . . . 0.0 111.506 171.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -61.19 -44.39 97.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.083 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -57.16 -43.82 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 121.279 1.854 . . . . 0.0 111.469 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 t -52.66 -53.0 53.21 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.409 0.684 . . . . 0.0 112.18 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.34 23.2 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -77.12 -48.18 18.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.974 1.309 . . . . 0.0 112.119 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -90.42 -13.51 34.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.462 1.105 . . . . 0.0 113.76 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 71.67 70.19 0.16 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.955 2.102 . . . . 0.0 111.133 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.99 -174.16 4.56 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.684 1.594 . . . . 0.0 111.176 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -102.51 148.07 25.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.587 1.155 . . . . 0.0 111.051 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.53 -37.82 70.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.711 0.804 . . . . 0.0 110.797 176.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -64.66 -39.9 94.48 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.271 1.028 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -78.56 -34.16 47.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.305 0.957 . . . . 0.0 112.1 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.42 -46.18 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.626 0.648 . . . . 0.0 110.296 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.6 mmm -59.45 -44.49 92.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.721 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -47.11 -60.67 2.31 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 112.869 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -61.44 -32.72 72.7 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.729 -1.232 . . . . 0.0 113.342 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.1 mt -78.09 -25.08 47.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.427 1.091 . . . . 0.0 111.94 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 124.603 1.161 . . . . 0.0 111.139 174.626 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 CA--C 1.541 0.596 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.01 143.88 57.09 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.587 1.155 . . . . 0.0 111.57 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -50.6 -38.48 45.86 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -77.88 -31.33 51.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.044 0.838 . . . . 0.0 111.924 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.23 -37.51 61.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.347 0.659 . . . . 0.0 111.974 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -60.36 -46.16 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.412 1.085 . . . . 0.0 109.934 170.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.93 -48.09 79.1 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.746 . . . . 0.0 111.872 171.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -54.87 -46.16 74.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.012 0.925 . . . . 0.0 112.912 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -63.34 -48.5 77.72 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.343 -0.848 . . . . 0.0 112.498 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.37 -38.26 90.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.357 1.063 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.84 -33.22 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.348 1.059 . . . . 0.0 111.152 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.49 -40.31 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.807 1.185 . . . . 0.0 110.647 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.82 -45.02 96.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.112 0.869 . . . . 0.0 111.422 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.66 -47.59 85.56 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.354 -0.841 . . . . 0.0 111.772 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 ttt-85 -59.78 -41.1 90.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.582 1.553 . . . . 0.0 113.189 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.3 tpt85 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -171.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 121.24 0.543 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -60.54 -29.77 69.35 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.952 0.901 . . . . 0.0 112.721 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.25 -41.84 72.99 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.043 0.838 . . . . 0.0 111.134 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.72 78.85 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.951 172.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.52 -50.32 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.235 0.925 . . . . 0.0 111.284 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -59.59 -39.63 84.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.797 0.726 . . . . 0.0 112.435 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -67.35 -39.65 85.78 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.625 -0.703 . . . . 0.0 111.936 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.9 t -59.0 -43.91 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 111.203 172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.9 m -58.18 -39.54 79.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.207 0.912 . . . . 0.0 112.483 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -72.89 -53.8 10.4 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.331 1.053 . . . . 0.0 111.877 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -63.57 -48.27 78.13 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.294 1.437 . . . . 0.0 112.539 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -96.26 -6.97 36.75 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.894 1.678 . . . . 0.0 114.013 -169.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 69.0 24.61 6.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.649 1.979 . . . . 0.0 113.986 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.8 p -104.49 -177.48 3.38 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.533 1.933 . . . . 0.0 112.803 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -106.67 156.87 18.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.318 1.847 . . . . 0.0 111.063 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.6 -45.73 66.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.308 1.043 . . . . 0.0 111.005 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -58.07 -29.79 65.69 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.16 -37.65 53.36 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.778 0.717 . . . . 0.0 110.96 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.19 -43.91 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.116 0.566 . . . . 0.0 110.289 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mmt -57.86 -47.82 81.58 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.739 1.216 . . . . 0.0 111.791 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -52.1 -56.05 16.93 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.577 0.751 . . . . 0.0 112.474 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -70.11 -13.69 62.32 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.18 -20.91 19.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.692 1.197 . . . . 0.0 112.715 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 124.728 1.211 . . . . 0.0 114.116 -173.552 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 148.66 50.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.478 1.111 . . . . 0.0 112.323 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -50.05 -42.46 49.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.369 1.468 . . . . 0.0 113.523 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.79 -32.93 71.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.242 0.928 . . . . 0.0 112.267 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.01 -36.48 35.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.607 0.763 . . . . 0.0 112.567 173.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.44 -42.73 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.182 0.993 . . . . 0.0 110.549 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.58 63.39 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.032 0.933 . . . . 0.0 111.287 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -56.64 -47.27 80.1 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.341 1.056 . . . . 0.0 113.245 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -63.2 -47.87 80.71 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.967 0.803 . . . . 0.0 112.24 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -37.13 85.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.065 0.946 . . . . 0.0 112.335 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mt -72.55 -35.78 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.722 0.809 . . . . 0.0 111.854 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -64.5 -42.05 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.63 1.105 . . . . 0.0 111.128 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -59.69 -48.36 81.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.417 1.008 . . . . 0.0 112.104 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.02 -45.58 90.34 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.191 -0.943 . . . . 0.0 111.294 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -59.47 -43.81 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 113.246 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -176.039 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t0 . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 121.672 0.749 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.6 -31.09 67.73 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.092 0.957 . . . . 0.0 112.292 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.21 -38.81 68.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.366 0.53 . . . . 0.0 111.656 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.83 -45.25 78.84 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.61 -0.681 . . . . 0.0 110.915 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -56.41 -46.14 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.388 0.995 . . . . 0.0 110.89 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -61.99 -41.65 98.27 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.568 0.747 . . . . 0.0 112.496 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -65.92 -46.31 78.74 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.633 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.8 t -56.21 -39.21 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.582 1.153 . . . . 0.0 111.273 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.03 -37.0 68.62 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.09 -54.69 4.47 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.078 0.951 . . . . 0.0 111.523 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.67 -42.44 95.39 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.464 1.906 . . . . 0.0 113.221 -173.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -98.12 -7.97 28.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.488 1.515 . . . . 0.0 114.047 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 69.66 24.95 5.32 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.472 1.909 . . . . 0.0 114.402 170.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 p -103.22 -178.86 3.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.041 1.736 . . . . 0.0 112.375 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -86.85 151.58 23.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.957 0.903 . . . . 0.0 109.946 169.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.55 -45.62 91.28 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.529 0.732 . . . . 0.0 111.306 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -58.93 -31.49 68.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.922 0.889 . . . . 0.0 112.788 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -72.51 -30.33 64.39 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.657 -0.652 . . . . 0.0 112.135 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -64.99 -49.39 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.791 0.723 . . . . 0.0 109.469 172.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.4 mtp -61.51 -42.85 99.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.59 0.756 . . . . 0.0 111.708 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -52.62 -56.34 16.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.24 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.2 m -65.72 -16.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.1 mt -94.91 -23.33 17.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.076 1.35 . . . . 0.0 112.384 176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.9 t80 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 124.95 1.3 . . . . 0.0 113.323 -174.449 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.38 147.93 52.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.228 1.011 . . . . 0.0 112.04 170.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -50.99 -38.75 53.05 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.97 -36.83 69.94 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.899 0.88 . . . . 0.0 112.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.16 -36.44 64.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.365 0.666 . . . . 0.0 112.026 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.97 0.908 . . . . 0.0 110.832 173.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.33 71.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.242 0.928 . . . . 0.0 111.625 170.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -56.8 -45.8 82.01 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 113.192 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -64.06 -45.42 88.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.28 0.946 . . . . 0.0 112.559 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.93 -38.13 87.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.4 mt -74.28 -34.81 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.144 0.978 . . . . 0.0 111.575 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.2 -40.16 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.354 0.979 . . . . 0.0 110.991 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -62.56 -42.88 99.82 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.444 1.475 . . . . 0.0 112.389 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.74 -51.87 67.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.335 0.97 . . . . 0.0 110.918 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -58.81 -41.61 87.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.694 1.998 . . . . 0.0 113.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 . . . . . 0 N--CA 1.47 0.56 0 C-N-CA 125.81 1.644 . . . . 0.0 113.188 -176.266 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.09 -35.5 69.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.676 1.19 . . . . 0.0 112.21 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.96 -40.36 75.46 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.919 0.781 . . . . 0.0 111.768 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.23 25.05 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.865 -0.522 . . . . 0.0 111.244 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.8 -48.87 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.069 0.947 . . . . 0.0 110.49 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -70.41 -22.61 62.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -81.06 -32.76 33.86 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.55 171.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.95 -35.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 120.884 1.675 . . . . 0.0 111.372 170.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 m -54.78 -33.98 62.1 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.957 0.903 . . . . 0.0 113.107 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.29 -53.62 4.02 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.011 1.325 . . . . 0.0 111.586 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -59.72 -40.91 89.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.598 1.159 . . . . 0.0 112.795 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.28 -1.71 18.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.475 1.51 . . . . 0.0 113.885 -171.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 64.54 29.63 13.13 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.008 1.723 . . . . 0.0 113.541 175.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.72 -163.4 0.99 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.276 1.431 . . . . 0.0 112.029 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -128.24 149.04 50.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.962 1.705 . . . . 0.0 110.904 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.62 -44.42 81.16 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.673 0.789 . . . . 0.0 110.905 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.4 m -61.27 -35.09 76.33 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.374 -0.829 . . . . 0.0 112.993 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -77.96 -39.38 42.73 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.728 -0.608 . . . . 0.0 110.892 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.4 -41.65 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.812 0.845 . . . . 0.0 111.395 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -61.64 -39.88 92.93 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 117.846 -1.073 . . . . 0.0 112.373 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -51.33 -55.83 16.29 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 120.522 1.51 . . . . 0.0 113.539 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 m -61.54 -29.99 70.36 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.754 -1.216 . . . . 0.0 113.028 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.18 -23.4 30.58 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.22 1.408 . . . . 0.0 112.12 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 124.755 1.222 . . . . 0.0 110.547 169.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.22 146.25 53.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.891 1.277 . . . . 0.0 112.114 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -56.71 -37.11 70.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.737 0.815 . . . . 0.0 113.082 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.55 -33.03 64.5 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.229 0.922 . . . . 0.0 111.976 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.02 -39.6 69.06 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.195 0.598 . . . . 0.0 111.782 171.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -58.57 -43.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.877 0.871 . . . . 0.0 110.586 170.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.17 82.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.441 1.019 . . . . 0.0 112.379 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.95 68.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.19 0.996 . . . . 0.0 111.909 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -64.17 -48.64 75.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.274 0.63 . . . . 0.0 111.725 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.27 -37.61 86.15 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.78 1.232 . . . . 0.0 112.173 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.86 -40.68 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.608 -0.682 . . . . 0.0 111.253 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.83 -39.84 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 119.442 1.019 . . . . 0.0 111.232 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -60.92 -45.96 92.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.277 0.944 . . . . 0.0 112.02 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -63.45 -43.32 97.72 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.491 -0.756 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.55 -37.29 87.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.896 1.678 . . . . 0.0 112.904 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.261 1.424 . . . . 0.0 112.911 179.15 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 N--CA 1.47 0.573 0 CA-C-O 121.352 0.596 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -61.14 -24.26 66.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.538 0.735 . . . . 0.0 112.841 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -75.18 -39.79 59.97 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.849 0.75 . . . . 0.0 111.552 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.12 87.61 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.224 -0.922 . . . . 0.0 111.198 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.37 -46.44 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.184 0.994 . . . . 0.0 110.919 172.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -59.13 -47.32 85.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.177 0.991 . . . . 0.0 111.855 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.75 -55.22 24.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.944 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.41 -29.91 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 120.387 1.448 . . . . 0.0 113.285 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -55.02 -43.19 73.47 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.573 0.624 . . . . 0.0 112.02 172.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.59 -50.09 5.57 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.449 1.1 . . . . 0.0 111.472 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -62.29 -43.02 99.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.096 1.358 . . . . 0.0 111.879 -173.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -92.44 -10.62 37.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.631 1.172 . . . . 0.0 114.085 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 66.51 77.29 0.28 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.885 2.074 . . . . 0.0 111.923 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 t -149.23 -148.61 0.27 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.403 1.481 . . . . 0.0 111.104 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -133.4 148.07 51.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.013 1.725 . . . . 0.0 110.57 175.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.24 -39.69 83.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.354 0.662 . . . . 0.0 110.934 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -62.56 -41.3 98.83 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.524 -0.735 . . . . 0.0 112.611 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -74.88 -39.12 61.68 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.556 0.616 . . . . 0.0 111.371 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 t -56.43 -51.48 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.863 0.865 . . . . 0.0 110.981 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 97.8 mtp -66.48 -34.66 78.43 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.409 0.683 . . . . 0.0 111.931 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -59.38 -47.83 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.643 1.11 . . . . 0.0 111.657 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.5 m -64.83 -16.27 62.89 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 120.212 1.369 . . . . 0.0 114.266 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.09 -15.84 20.8 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.732 1.213 . . . . 0.0 113.095 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.8 t80 . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.225 1.41 . . . . 0.0 112.401 -178.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.82 140.17 53.25 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.928 0.891 . . . . 0.0 110.877 169.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -49.85 -38.18 34.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.803 1.241 . . . . 0.0 114.108 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 mt -74.88 -37.08 62.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.263 0.938 . . . . 0.0 111.854 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.37 -36.94 68.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.72 0.808 . . . . 0.0 111.85 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.15 -50.66 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.73 1.212 . . . . 0.0 110.205 170.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.6 -46.05 84.53 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.981 0.81 . . . . 0.0 111.969 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -56.01 -47.47 77.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.513 1.125 . . . . 0.0 112.263 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -62.86 -45.16 93.88 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.273 -0.892 . . . . 0.0 112.634 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.0 -38.16 87.57 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.172 1.389 . . . . 0.0 111.972 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mt -71.01 -35.14 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.051 0.94 . . . . 0.0 111.547 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 mt -64.56 -42.21 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.544 1.065 . . . . 0.0 111.273 169.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.67 -41.95 91.8 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.366 0.984 . . . . 0.0 111.966 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.61 -56.07 23.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.274 0.63 . . . . 0.0 111.18 172.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -54.46 -33.67 60.05 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.908 2.083 . . . . 0.0 113.776 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 . . . . . 0 CA--C 1.538 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 112.367 176.446 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t0 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.93 -32.49 67.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.935 0.894 . . . . 0.0 112.473 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.68 -41.28 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.131 0.572 . . . . 0.0 111.519 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.2 -47.9 77.97 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.519 175.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.25 -41.21 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.14 0.882 . . . . 0.0 111.136 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.32 -44.26 96.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.126 0.875 . . . . 0.0 111.661 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -64.67 -43.31 93.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.531 0.732 . . . . 0.0 111.696 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.12 -43.18 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.027 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.0 t -58.66 -44.0 90.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.427 0.691 . . . . 0.0 111.755 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.41 -53.89 20.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.372 1.069 . . . . 0.0 112.211 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -65.32 -45.18 85.32 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.927 1.291 . . . . 0.0 113.151 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -97.89 -7.88 29.35 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.882 1.273 . . . . 0.0 114.031 -171.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 65.56 26.24 11.68 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.999 1.719 . . . . 0.0 113.809 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.19 154.08 31.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.432 1.893 . . . . 0.0 110.526 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.9 p -69.38 153.14 44.04 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.039 0.836 . . . . 0.0 112.009 -174.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -53.77 -41.3 67.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.15 0.98 . . . . 0.0 110.754 171.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 p -63.3 -34.55 77.94 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.035 0.934 . . . . 0.0 113.346 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -78.35 -39.5 39.21 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.094 0.861 . . . . 0.0 110.74 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.04 -42.57 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.708 0.803 . . . . 0.0 111.308 174.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.73 -37.74 88.63 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.669 172.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -54.31 -56.17 21.12 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 120.122 1.328 . . . . 0.0 113.079 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -60.83 -28.18 68.62 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.95 -1.094 . . . . 0.0 112.993 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.67 -25.06 31.04 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.05 1.34 . . . . 0.0 112.167 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.0 t80 . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 124.938 1.295 . . . . 0.0 110.914 170.428 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.27 144.85 49.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.73 1.212 . . . . 0.0 112.119 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.06 -36.1 38.13 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.59 -30.07 41.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.105 0.866 . . . . 0.0 111.915 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.33 -38.82 65.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.408 0.683 . . . . 0.0 111.683 169.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.1 -46.76 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.164 0.986 . . . . 0.0 110.082 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -49.47 75.74 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.132 0.878 . . . . 0.0 112.093 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -47.84 63.12 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.742 1.217 . . . . 0.0 112.624 172.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -63.49 -49.99 71.43 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.459 -0.776 . . . . 0.0 112.291 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.26 -34.18 77.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.305 1.442 . . . . 0.0 112.557 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.1 mt -82.69 -33.53 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.144 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.73 -40.16 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.003 1.274 . . . . 0.0 110.237 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.39 -48.28 79.48 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.926 0.89 . . . . 0.0 111.754 170.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -59.17 -48.59 81.06 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.281 -0.887 . . . . 0.0 111.722 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.97 -43.1 99.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.961 1.704 . . . . 0.0 113.983 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 tpt85 . . . . . 0 N--CA 1.473 0.68 0 C-N-CA 124.155 0.982 . . . . 0.0 113.632 -170.581 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.53 0.681 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.71 -30.97 71.99 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.875 0.87 . . . . 0.0 112.816 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.58 -42.31 87.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.4 0.68 . . . . 0.0 111.185 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.83 67.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.988 0.515 . . . . 0.0 110.69 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -51.26 -52.19 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.955 1.302 . . . . 0.0 111.033 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.3 -43.74 88.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.22 1.008 . . . . 0.0 112.497 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -64.94 -38.3 90.5 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.585 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.17 -32.39 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 120.849 1.659 . . . . 0.0 112.024 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.21 -28.56 69.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -93.12 -50.67 5.4 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.589 1.156 . . . . 0.0 111.67 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -70.41 -48.13 57.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.998 1.319 . . . . 0.0 112.454 -173.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -96.09 -13.36 23.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 67.04 19.76 10.48 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.001 1.721 . . . . 0.0 114.48 173.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.76 144.83 37.63 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.312 1.845 . . . . 0.0 108.693 169.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -67.49 147.43 52.83 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.041 0.837 . . . . 0.0 112.924 -168.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -36.06 62.59 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.871 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 m -64.81 -38.16 90.06 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.813 1.645 . . . . 0.0 113.126 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.85 -39.49 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.701 0.682 . . . . 0.0 110.941 172.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.197 0.999 . . . . 0.0 111.425 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.1 mtm -63.62 -35.8 81.73 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.483 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.44 -53.1 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.469 1.486 . . . . 0.0 112.56 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 -30.48 70.69 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.776 -1.203 . . . . 0.0 112.855 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -82.52 -22.01 35.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 0.0 111.919 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 125.184 1.394 . . . . 0.0 110.945 170.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.58 143.21 57.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.072 1.349 . . . . 0.0 112.096 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -54.0 -35.65 62.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.264 1.025 . . . . 0.0 113.239 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.3 mt -80.69 -30.77 36.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.439 1.018 . . . . 0.0 112.512 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.43 77.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.096 0.558 . . . . 0.0 111.214 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.43 -48.76 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.747 1.219 . . . . 0.0 110.471 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.7 68.24 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.682 1.128 . . . . 0.0 111.944 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.25 -47.31 75.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.477 1.111 . . . . 0.0 112.795 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.49 -48.62 80.27 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.127 -0.983 . . . . 0.0 112.208 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.06 -40.8 86.29 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.033 1.333 . . . . 0.0 111.561 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.0 mt -69.57 -33.37 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.945 0.898 . . . . 0.0 111.766 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.64 -44.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.617 1.098 . . . . 0.0 110.701 169.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.34 -46.14 89.45 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.118 0.872 . . . . 0.0 111.422 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.343 -0.848 . . . . 0.0 112.19 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttt-85 -61.46 -38.21 86.39 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.569 1.148 . . . . 0.0 112.757 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.476 0.831 0 C-N-CA 124.465 1.106 . . . . 0.0 113.201 174.799 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -60.63 -29.24 69.13 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.892 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -74.37 -37.04 63.58 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.485 0.584 . . . . 0.0 112.229 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.18 84.29 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.501 -0.749 . . . . 0.0 110.776 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.36 -44.02 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.426 1.012 . . . . 0.0 111.59 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -63.15 -40.4 97.47 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.085 0.954 . . . . 0.0 112.392 173.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.09 -40.49 78.39 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.149 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.04 -40.98 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.354 1.433 . . . . 0.0 110.875 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.04 -34.13 67.91 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.17 -55.6 3.85 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.237 1.015 . . . . 0.0 112.218 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -61.75 -45.21 94.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.72 1.608 . . . . 0.0 112.275 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -97.83 -10.05 25.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.369 1.468 . . . . 0.0 114.181 -172.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 67.1 26.0 8.98 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.182 1.793 . . . . 0.0 114.1 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.8 p -102.69 177.17 4.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.051 1.74 . . . . 0.0 111.662 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.0 p -81.89 159.05 23.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.567 0.747 . . . . 0.0 110.091 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.98 -43.97 97.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.107 0.563 . . . . 0.0 111.083 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -63.06 -26.75 68.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.199 -0.938 . . . . 0.0 113.226 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.68 -33.64 76.09 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.075 0.852 . . . . 0.0 111.827 171.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 t -68.21 -45.16 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.594 -0.691 . . . . 0.0 110.129 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.4 -44.44 97.14 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.74 0.816 . . . . 0.0 112.244 173.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -51.08 -58.27 6.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.025 0.93 . . . . 0.0 112.246 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -67.72 -16.28 64.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.07 -29.0 22.22 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.847 0.859 . . . . 0.0 112.264 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.711 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.15 150.8 47.9 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.968 1.307 . . . . 0.0 112.636 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.95 -40.5 57.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.075 1.35 . . . . 0.0 113.668 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.8 -35.62 72.62 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.155 0.889 . . . . 0.0 112.292 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.22 -36.99 58.31 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.524 0.729 . . . . 0.0 112.14 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.02 -41.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.238 1.015 . . . . 0.0 110.88 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.81 71.8 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.998 0.919 . . . . 0.0 111.805 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.33 -48.57 71.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.164 0.586 . . . . 0.0 112.091 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -60.57 -48.04 83.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.139 0.881 . . . . 0.0 111.99 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.14 -34.3 77.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.357 1.063 . . . . 0.0 112.613 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.7 mt -77.35 -35.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.212 1.005 . . . . 0.0 111.773 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.38 -46.17 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.497 -0.752 . . . . 0.0 109.58 169.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.35 -44.34 96.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.433 0.693 . . . . 0.0 111.962 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.12 -55.5 30.44 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.956 0.798 . . . . 0.0 110.71 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtp-105 -61.06 -53.2 60.1 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.523 1.129 . . . . 0.0 113.316 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -169.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.866 0 CA-C-O 119.541 -0.588 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.21 163.63 36.08 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.294 3.33 . . . . 0.0 112.024 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -78.65 150.35 32.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.732 0.813 . . . . 0.0 112.509 176.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.8 tpt -73.43 146.43 45.05 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.019 0.928 . . . . 0.0 112.185 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -83.73 -15.02 50.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.284 1.434 . . . . 0.0 114.817 -173.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -133.16 155.92 48.41 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.577 1.551 . . . . 0.0 112.876 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -166.81 159.43 13.69 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.693 1.997 . . . . 0.0 110.42 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.1 -23.62 14.57 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.19 -23.73 62.51 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.628 1.171 . . . . 0.0 113.899 170.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -114.74 33.42 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.356 1.462 . . . . 0.0 112.673 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.58 152.86 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.753 1.621 . . . . 0.0 110.158 169.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -92.49 100.42 12.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.938 0.895 . . . . 0.0 109.515 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.0 -30.5 71.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.393 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -43.14 87.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.129 0.972 . . . . 0.0 111.179 170.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.48 81.81 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.627 -0.67 . . . . 0.0 111.229 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.18 -47.82 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-N 118.606 0.639 . . . . 0.0 110.711 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.1 -44.16 95.05 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.716 0.807 . . . . 0.0 112.399 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.73 -40.9 97.89 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.531 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.78 -44.02 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.0 1.273 . . . . 0.0 110.564 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.86 -43.33 81.08 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.005 0.821 . . . . 0.0 112.991 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.43 -35.12 25.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -79.36 -42.85 24.69 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.295 0.952 . . . . 0.0 112.257 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -83.06 -22.99 33.35 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.563 1.545 . . . . 0.0 112.994 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.66 71.6 0.17 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.033 2.133 . . . . 0.0 111.039 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.9 p -157.86 179.67 8.98 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.736 . . . . 0.0 112.227 -172.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.1 p -102.76 155.07 18.57 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.516 1.526 . . . . 0.0 111.757 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -56.12 -42.76 77.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.418 0.687 . . . . 0.0 111.002 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -59.29 -33.65 71.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.857 0.863 . . . . 0.0 112.916 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.74 -42.64 67.02 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.591 0.632 . . . . 0.0 110.717 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.76 -48.45 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.088 0.555 . . . . 0.0 110.675 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 88.8 mtp -64.65 -37.58 88.05 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.239 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -53.41 -54.91 30.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.858 1.208 . . . . 0.0 112.212 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.1 m -67.94 -16.86 64.26 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.27 -22.71 21.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.606 1.162 . . . . 0.0 112.449 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -111.43 -38.67 4.89 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.709 1.204 . . . . 0.0 113.747 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 m -130.1 -18.74 3.28 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.196 1.398 . . . . 0.0 114.526 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.27 -130.67 3.54 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.156 0.884 . . . . 0.0 111.133 171.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -145.79 142.31 17.77 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.648 1.179 . . . . 0.0 111.074 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -54.16 -16.13 9.06 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 124.516 3.477 . . . . 0.0 117.041 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -86.27 -8.81 57.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.771 1.229 . . . . 0.0 112.711 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.01 147.2 51.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.155 0.982 . . . . 0.0 111.851 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -55.67 -34.83 65.35 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.31 -34.94 73.31 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.785 1.175 . . . . 0.0 112.36 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.01 -36.23 41.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.511 0.724 . . . . 0.0 112.139 174.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.95 -43.28 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.079 0.951 . . . . 0.0 110.094 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.89 77.79 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.261 0.937 . . . . 0.0 111.799 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.23 -45.43 79.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.869 0.868 . . . . 0.0 112.584 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -62.09 -49.91 74.04 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.253 -0.904 . . . . 0.0 112.457 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.43 -34.09 77.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.631 1.172 . . . . 0.0 112.343 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.73 -32.11 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.896 0.878 . . . . 0.0 111.397 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.92 -35.92 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.556 1.071 . . . . 0.0 111.195 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.92 -44.94 91.4 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.737 -1.227 . . . . 0.0 111.809 169.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.77 -56.01 27.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.086 0.954 . . . . 0.0 111.162 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -54.45 -35.64 63.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.776 2.431 . . . . 0.0 113.965 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -83.37 -56.52 3.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.102 0.961 . . . . 0.0 112.776 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.3 mm -91.51 -60.59 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.041 0.936 . . . . 0.0 112.373 -169.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.2 mtt -67.3 -29.66 69.3 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.801 -0.562 . . . . 0.0 111.859 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -57.85 -27.96 63.68 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.445 1.898 . . . . 0.0 113.474 170.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -107.22 -30.93 8.45 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.73 1.212 . . . . 0.0 112.841 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.44 -20.71 62.88 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.7 p -159.73 168.09 26.77 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.296 1.438 . . . . 0.0 112.886 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.115 1.766 . . . . 0.0 112.132 -177.412 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 CA-C-O 118.949 -0.917 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.18 151.9 44.46 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 124.086 3.191 . . . . 0.0 112.07 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -72.37 -20.65 61.42 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.513 0.725 . . . . 0.0 112.654 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -67.1 -33.91 76.48 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.058 1.343 . . . . 0.0 113.178 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m 177.49 128.97 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 128.501 2.72 . . . . 0.0 110.615 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -163.88 159.95 21.61 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.685 1.594 . . . . 0.0 111.791 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -162.03 154.95 20.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.847 1.659 . . . . 0.0 111.66 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.04 85.6 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -72.98 -40.29 65.4 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.861 0.864 . . . . 0.0 112.25 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.0 t 78.58 88.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 129.984 3.314 . . . . 0.0 108.666 -173.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 tt -79.81 172.74 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 126.42 1.888 . . . . 0.0 114.286 -169.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -119.38 124.82 47.52 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.721 1.208 . . . . 0.0 110.034 169.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.06 -32.02 65.8 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.203 1.001 . . . . 0.0 112.888 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.51 -42.43 61.81 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.927 0.891 . . . . 0.0 111.719 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.37 -47.85 84.28 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.748 -0.595 . . . . 0.0 110.439 171.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.3 -38.51 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.572 0.624 . . . . 0.0 111.462 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.38 89.21 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.356 0.663 . . . . 0.0 111.669 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.34 -47.18 74.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.544 0.738 . . . . 0.0 111.758 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.1 t -58.76 -42.64 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.461 1.028 . . . . 0.0 111.844 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -54.09 -44.87 71.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.864 0.865 . . . . 0.0 112.036 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.86 -53.0 7.99 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.248 1.019 . . . . 0.0 112.279 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -58.8 -46.97 86.36 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.601 1.16 . . . . 0.0 112.763 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -5.62 45.17 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.662 1.185 . . . . 0.0 113.964 -171.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 64.84 29.49 12.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.203 1.801 . . . . 0.0 113.198 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -151.72 0.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 127.097 2.159 . . . . 0.0 111.264 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.3 p -133.01 148.38 52.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.566 1.546 . . . . 0.0 111.143 174.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.22 -46.13 79.64 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.837 0.855 . . . . 0.0 111.167 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -62.2 -34.15 75.9 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.473 0.709 . . . . 0.0 112.628 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.37 -36.99 60.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.314 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.67 -43.24 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 118.5 0.591 . . . . 0.0 110.508 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 99.2 mtp -64.94 -39.42 93.47 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.874 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.12 -51.5 66.24 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.118 1.326 . . . . 0.0 113.54 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -63.54 -23.78 67.53 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.136 -0.977 . . . . 0.0 113.239 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -94.12 -16.54 23.66 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.766 1.626 . . . . 0.0 111.767 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -79.26 -40.29 30.94 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.557 1.543 . . . . 0.0 110.414 169.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.4 p -73.92 -32.38 63.51 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.806 0.443 . . . . 0.0 111.148 169.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.02 31.1 8.75 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 124.93 1.252 . . . . 0.0 114.562 169.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -96.37 111.24 56.18 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 124.357 1.063 . . . . 0.0 111.231 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.43 -7.22 16.83 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.521 2.814 . . . . 0.0 113.511 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -87.62 -15.68 36.63 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.186 0.903 . . . . 0.0 112.647 -172.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.6 145.37 54.0 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.13 -35.04 69.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.674 0.789 . . . . 0.0 112.97 -176.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.7 mt -78.1 -31.21 49.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.596 1.089 . . . . 0.0 112.536 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.2 76.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.547 0.739 . . . . 0.0 111.494 169.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.78 -46.08 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 110.861 171.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.01 69.11 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.964 0.906 . . . . 0.0 111.714 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.97 -47.4 68.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.707 1.203 . . . . 0.0 112.893 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -61.83 -52.26 64.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.941 0.791 . . . . 0.0 112.0 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.43 -37.36 83.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.938 1.295 . . . . 0.0 112.441 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.53 -32.42 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.722 0.809 . . . . 0.0 111.228 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.26 -39.46 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.738 1.154 . . . . 0.0 110.812 169.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.48 -44.22 93.1 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.529 1.059 . . . . 0.0 111.375 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.87 -50.08 74.86 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.381 -0.824 . . . . 0.0 111.977 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -57.93 -39.47 78.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.507 1.523 . . . . 0.0 113.04 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -86.58 -54.08 4.6 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.708 1.203 . . . . 0.0 113.671 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.4 mt -86.42 -43.14 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 124.38 1.072 . . . . 0.0 111.59 -169.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.9 mtt -102.49 32.78 3.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.568 1.547 . . . . 0.0 111.432 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.42 131.65 42.74 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.469 1.508 . . . . 0.0 112.93 -170.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -143.52 148.19 35.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.16 1.384 . . . . 0.0 110.284 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.56 170.46 19.08 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.284 1.434 . . . . 0.0 112.083 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.3 m -78.38 -9.33 59.23 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.728 1.611 . . . . 0.0 113.851 -178.492 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.916 0 CA-C-O 119.035 -0.869 . . . . 0.0 113.203 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.95 -21.52 34.21 Favored 'Trans proline' 0 CA--C 1.541 0.837 1 C-N-CA 125.355 4.036 . . . . 0.0 116.359 -174.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -62.51 -16.93 58.4 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.5 mtt -77.01 143.23 39.51 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.075 0.95 . . . . 0.0 112.036 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -72.07 144.13 48.83 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.693 0.797 . . . . 0.0 112.808 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -66.71 -39.85 88.19 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.724 0.81 . . . . 0.0 112.763 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -171.41 161.6 6.43 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.495 2.318 . . . . 0.0 109.809 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.49 -26.38 20.4 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.162 -0.961 . . . . 0.0 113.45 173.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -91.96 11.0 26.54 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.787 1.635 . . . . 0.0 114.132 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.79 140.33 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.646 1.178 . . . . 0.0 112.761 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.47 149.69 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.752 1.221 . . . . 0.0 112.584 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -93.93 118.38 31.4 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.302 0.573 . . . . 0.0 111.884 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -57.29 -31.3 65.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.62 1.168 . . . . 0.0 112.76 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -70.81 -46.23 63.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.837 0.744 . . . . 0.0 111.275 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.45 82.9 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.891 -0.506 . . . . 0.0 110.984 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 t -53.95 -49.0 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.068 0.849 . . . . 0.0 111.425 173.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -59.92 -40.14 87.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.156 0.982 . . . . 0.0 112.454 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -65.97 -37.73 86.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.432 1.015 . . . . 0.0 112.176 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.5 t -60.46 -43.21 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.101 1.319 . . . . 0.0 110.727 170.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.12 -39.95 83.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.318 0.508 . . . . 0.0 112.081 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.75 -55.14 8.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.623 1.169 . . . . 0.0 112.8 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.64 -46.52 53.59 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.354 -0.841 . . . . 0.0 112.789 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -88.08 -9.87 51.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.991 1.316 . . . . 0.0 114.238 -172.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 65.2 25.04 12.33 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.992 1.717 . . . . 0.0 114.139 171.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -115.6 156.19 26.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.299 1.839 . . . . 0.0 110.153 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -70.4 140.77 52.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.634 1.106 . . . . 0.0 111.833 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -36.44 74.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.001 0.92 . . . . 0.0 111.825 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -62.5 -36.06 81.36 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.181 1.392 . . . . 0.0 112.514 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -75.72 -36.87 59.85 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.543 1.065 . . . . 0.0 110.976 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -56.66 -48.86 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.945 0.498 . . . . 0.0 110.499 171.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.97 -41.67 99.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.402 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -55.36 -50.11 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.559 1.072 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.3 m -62.32 -23.84 66.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.002 1.273 . . . . 0.0 114.028 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.51 -21.89 22.7 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.695 1.198 . . . . 0.0 112.769 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -108.19 -34.3 6.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.563 1.145 . . . . 0.0 113.729 -172.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -144.16 -5.67 0.77 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -173.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.85 -126.71 3.46 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 119.455 1.025 . . . . 0.0 110.793 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.05 139.54 16.05 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.621 1.168 . . . . 0.0 110.999 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.84 -14.57 8.14 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 124.549 3.499 . . . . 0.0 116.919 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -88.89 -7.76 55.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.88 1.272 . . . . 0.0 112.524 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.66 145.43 54.63 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.567 1.147 . . . . 0.0 111.724 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -53.14 -35.77 60.08 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.715 1.206 . . . . 0.0 113.074 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.4 mt -76.41 -31.8 58.15 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.87 1.214 . . . . 0.0 112.671 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.6 62.85 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.312 0.645 . . . . 0.0 111.85 172.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.77 -43.98 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.259 1.024 . . . . 0.0 110.588 169.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.04 78.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.926 0.785 . . . . 0.0 111.586 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.45 -46.45 83.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.224 0.92 . . . . 0.0 112.894 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -57.85 -47.92 81.3 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.132 0.878 . . . . 0.0 112.219 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.24 -37.13 86.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.512 1.125 . . . . 0.0 112.156 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -76.91 -32.37 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.052 0.941 . . . . 0.0 112.303 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -61.59 -41.95 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.297 0.953 . . . . 0.0 109.064 168.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -66.22 -40.23 90.16 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.741 0.701 . . . . 0.0 112.666 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.4 -55.42 35.08 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.229 -0.919 . . . . 0.0 110.381 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -56.52 -35.83 68.51 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.882 2.073 . . . . 0.0 113.85 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -86.97 -51.15 6.19 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.733 1.213 . . . . 0.0 113.746 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -98.64 -47.81 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.158 0.983 . . . . 0.0 113.226 -169.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 mtt -82.14 -14.11 56.19 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -173.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -74.69 52.22 0.51 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.187 2.195 . . . . 0.0 112.571 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -139.76 154.22 47.36 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.078 1.751 . . . . 0.0 110.499 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.56 158.28 33.64 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.327 1.451 . . . . 0.0 112.196 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m -83.41 156.45 22.95 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.334 1.054 . . . . 0.0 112.859 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.397 1.879 . . . . 0.0 113.516 179.573 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 CA-C-O 119.704 -0.498 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.4 163.96 35.09 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.392 3.395 . . . . 0.0 112.118 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -157.09 157.24 34.18 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.189 1.396 . . . . 0.0 111.269 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 63.9 mtt -72.97 165.9 24.1 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.015 0.926 . . . . 0.0 112.84 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -167.11 160.6 14.06 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.578 2.351 . . . . 0.0 108.914 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -58.59 -35.46 72.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -170.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.19 -22.93 61.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.731 1.212 . . . . 0.0 114.219 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.38 -34.36 16.53 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.384 1.073 . . . . 0.0 111.681 172.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.59 -40.44 66.56 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.053 1.341 . . . . 0.0 112.676 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t 69.41 85.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 127.779 2.432 . . . . 0.0 110.847 176.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 tt -143.96 147.95 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.973 1.709 . . . . 0.0 110.486 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.6 107.9 19.88 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.689 0.757 . . . . 0.0 111.254 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.8 -37.19 75.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.149 1.38 . . . . 0.0 112.958 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -67.3 -41.09 85.96 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.09 0.556 . . . . 0.0 111.675 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.97 79.57 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.381 -0.825 . . . . 0.0 110.897 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -60.44 -32.51 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.304 1.842 . . . . 0.0 112.771 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -86.13 -37.64 18.57 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.316 0.962 . . . . 0.0 112.998 173.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.24 -39.6 68.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.018 0.826 . . . . 0.0 112.696 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -51.28 -34.2 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.892 1.277 . . . . 0.0 113.868 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.06 -40.27 88.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.741 0.816 . . . . 0.0 112.085 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -83.12 -52.82 6.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.127 0.971 . . . . 0.0 111.18 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.67 98.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.42 1.488 . . . . 0.0 112.34 -172.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -102.08 -4.84 25.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.198 1.399 . . . . 0.0 113.799 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 65.66 26.63 11.47 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.089 1.756 . . . . 0.0 113.646 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.93 -157.24 0.6 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.605 1.962 . . . . 0.0 111.986 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.19 144.94 49.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.267 1.027 . . . . 0.0 111.656 172.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -50.98 -48.05 61.29 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.094 1.358 . . . . 0.0 110.638 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.17 -39.84 83.74 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -79.3 -31.13 43.19 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.96 0.8 . . . . 0.0 112.046 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.57 -51.28 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.466 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.23 -45.61 93.83 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.936 0.494 . . . . 0.0 111.131 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -55.76 -45.68 78.05 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.398 -0.814 . . . . 0.0 111.903 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -62.95 -27.44 69.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.915 -1.116 . . . . 0.0 113.284 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -84.23 -21.74 31.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.142 0.977 . . . . 0.0 112.492 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -106.76 -41.91 5.1 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.238 1.015 . . . . 0.0 113.653 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -127.81 -17.18 4.54 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.309 1.444 . . . . 0.0 113.979 -170.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.39 -122.38 1.63 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 169.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -146.12 135.82 11.67 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.523 1.129 . . . . 0.0 110.342 170.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -57.43 -5.26 1.53 Allowed 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 124.499 3.466 . . . . 0.0 116.92 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -93.13 -4.78 51.63 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.199 1.4 . . . . 0.0 112.359 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.94 149.55 44.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.685 1.194 . . . . 0.0 111.724 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -50.6 -36.07 33.25 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.339 1.056 . . . . 0.0 113.191 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -72.38 -40.02 67.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.223 0.92 . . . . 0.0 112.015 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.62 74.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.488 0.715 . . . . 0.0 111.886 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.0 t -64.51 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.305 1.042 . . . . 0.0 111.176 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.53 73.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.775 1.17 . . . . 0.0 111.925 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -53.43 -47.67 69.44 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.159 0.984 . . . . 0.0 112.262 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.48 -44.81 95.5 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.171 -0.956 . . . . 0.0 112.939 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.99 -34.91 79.57 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.461 1.104 . . . . 0.0 112.203 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.51 -37.0 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.821 0.848 . . . . 0.0 111.359 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.87 -45.04 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.285 0.948 . . . . 0.0 110.536 169.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.01 -39.96 95.28 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.366 0.985 . . . . 0.0 112.641 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.5 -49.77 75.41 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.85 0.86 . . . . 0.0 111.05 172.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.65 -36.94 74.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.541 1.537 . . . . 0.0 113.176 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -77.8 -59.21 2.88 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.221 1.808 . . . . 0.0 113.165 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.6 mm -95.02 -44.57 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.419 1.488 . . . . 0.0 112.521 -169.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.0 mtt -93.89 31.56 1.6 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.135 1.374 . . . . 0.0 111.533 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -55.58 -32.11 62.76 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.382 1.873 . . . . 0.0 114.431 -169.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -170.97 167.69 7.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.981 1.712 . . . . 0.0 111.278 -171.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.9 165.13 37.41 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.79 1.636 . . . . 0.0 111.615 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 m -170.85 161.51 7.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.093 2.157 . . . . 0.0 111.202 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.915 1.686 . . . . 0.0 112.134 -178.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -73.76 164.1 35.56 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.106 3.204 . . . . 0.0 112.005 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -160.13 168.46 25.44 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.302 1.441 . . . . 0.0 112.183 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.3 mtt -73.31 156.4 38.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.101 0.96 . . . . 0.0 111.742 174.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -75.81 113.24 13.06 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.481 -0.762 . . . . 0.0 110.783 173.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -90.05 178.28 6.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.862 1.265 . . . . 0.0 112.658 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -54.23 -38.52 65.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.945 1.298 . . . . 0.0 113.557 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.05 69.87 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.255 1.022 . . . . 0.0 113.14 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -72.52 -46.27 55.42 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.512 0.597 . . . . 0.0 111.536 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 m -83.48 31.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.363 1.065 . . . . 0.0 113.512 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 tt -71.43 157.3 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.108 1.363 . . . . 0.0 112.699 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -86.36 123.02 31.14 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.64 -0.662 . . . . 0.0 110.97 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.85 -38.74 76.21 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.912 174.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.22 -38.52 89.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.942 0.792 . . . . 0.0 111.349 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 -53.83 42.5 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.807 -0.558 . . . . 0.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.94 -39.85 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.523 -0.736 . . . . 0.0 111.903 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -62.28 -45.77 91.8 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.076 0.95 . . . . 0.0 112.151 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -62.81 -39.52 94.52 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 118.131 -0.937 . . . . 0.0 112.418 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.18 -48.82 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.281 1.401 . . . . 0.0 110.483 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.82 -48.38 67.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.766 0.826 . . . . 0.0 111.896 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -70.09 -56.78 6.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.628 1.171 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.45 -42.15 65.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.777 1.231 . . . . 0.0 112.794 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -84.96 -15.2 45.12 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.377 1.071 . . . . 0.0 112.776 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 66.43 55.92 0.8 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.175 1.79 . . . . 0.0 112.254 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.6 m -145.05 170.82 15.44 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.553 1.941 . . . . 0.0 111.207 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -75.48 146.59 40.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.63 0.772 . . . . 0.0 111.764 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.17 -42.17 94.41 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.511 0.725 . . . . 0.0 110.691 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 p -55.81 -34.61 65.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.393 1.077 . . . . 0.0 113.115 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.02 -23.85 44.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.08 0.855 . . . . 0.0 112.543 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.0 -46.84 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.79 0.723 . . . . 0.0 109.175 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.0 mmm -62.25 -48.24 80.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -57.45 -45.31 84.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.742 0.701 . . . . 0.0 111.586 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 m -61.18 -22.2 64.51 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.33 -18.91 18.86 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.809 1.244 . . . . 0.0 112.886 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -98.93 -50.05 4.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.482 1.113 . . . . 0.0 112.921 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -109.75 -22.33 11.96 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.654 1.582 . . . . 0.0 113.259 -174.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.52 -151.29 21.01 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.574 1.083 . . . . 0.0 112.25 171.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -137.78 150.1 66.71 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 125.935 1.694 . . . . 0.0 110.443 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -54.77 5.53 0.04 OUTLIER 'Trans proline' 0 CA--C 1.546 1.086 1 C-N-CA 125.38 4.053 . . . . 0.0 117.907 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -103.01 -10.43 18.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.812 1.645 . . . . 0.0 112.477 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.27 141.98 57.83 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 110.647 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -35.5 45.59 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.61 -32.2 41.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.204 0.911 . . . . 0.0 113.063 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.23 71.8 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.655 0.661 . . . . 0.0 111.389 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.29 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 110.223 169.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.06 82.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.753 1.161 . . . . 0.0 112.308 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.44 -45.13 72.99 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.6 -0.687 . . . . 0.0 112.141 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -59.64 -46.91 87.58 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.078 0.854 . . . . 0.0 112.513 173.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.55 -38.87 92.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.214 0.915 . . . . 0.0 112.777 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.85 -41.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 119.292 0.951 . . . . 0.0 111.728 173.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.61 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.586 0.754 . . . . 0.0 110.499 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.536 1.134 . . . . 0.0 112.289 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.1 -55.98 28.02 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.673 0.789 . . . . 0.0 110.901 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -59.02 -44.74 91.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.988 0.915 . . . . 0.0 112.664 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 -71.6 -47.24 56.01 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.35 1.06 . . . . 0.0 113.744 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.27 -45.54 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -169.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.7 mtt -83.43 -23.52 32.28 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -169.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -51.27 117.02 2.32 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.965 1.706 . . . . 0.0 112.981 -170.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -159.97 164.57 33.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.378 1.471 . . . . 0.0 111.924 -175.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.46 158.58 33.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.126 0.97 . . . . 0.0 112.738 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 p -80.61 -10.66 59.72 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.256 1.402 0 C-N-CA 126.526 1.931 . . . . 0.0 112.581 -178.668 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.074 0 CA-C-O 119.555 -0.58 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.56 134.19 60.68 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 124.38 3.387 . . . . 0.0 112.648 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.89 -6.41 59.08 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.75 154.38 40.69 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.233 1.813 . . . . 0.0 112.471 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -71.75 -25.74 62.17 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -94.91 158.98 15.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.147 1.779 . . . . 0.0 112.359 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -77.41 135.07 38.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.856 0.862 . . . . 0.0 111.669 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.74 -17.05 39.55 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -93.85 -34.97 12.94 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.621 1.168 . . . . 0.0 113.52 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.5 138.96 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.773 1.229 . . . . 0.0 112.487 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 tp -90.28 153.94 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.751 1.22 . . . . 0.0 112.273 -177.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -85.3 107.66 17.43 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.729 0.776 . . . . 0.0 110.61 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.09 -37.9 84.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.555 1.142 . . . . 0.0 112.264 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.8 -43.86 97.68 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.635 0.774 . . . . 0.0 111.198 173.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.68 72.75 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.698 -0.626 . . . . 0.0 110.89 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.77 -42.18 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.826 0.739 . . . . 0.0 111.51 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.69 -45.44 93.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.63 0.772 . . . . 0.0 111.859 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.78 -39.59 94.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.118 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.72 -43.25 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.838 1.653 . . . . 0.0 111.409 173.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -56.4 -45.26 80.7 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.457 0.703 . . . . 0.0 111.245 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.77 -54.07 18.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.268 1.027 . . . . 0.0 112.464 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -66.94 -48.97 66.97 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.635 1.574 . . . . 0.0 112.86 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -93.79 -10.67 33.37 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 114.353 -169.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 69.97 24.85 5.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.37 1.868 . . . . 0.0 114.135 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -103.47 -178.2 3.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.98 1.312 . . . . 0.0 110.903 170.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -92.57 150.72 20.56 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.369 -0.832 . . . . 0.0 111.236 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -56.51 -39.23 72.95 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.088 0.555 . . . . 0.0 110.913 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 p -65.26 -37.92 88.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.769 0.828 . . . . 0.0 113.143 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -75.67 -36.29 60.16 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.287 0.949 . . . . 0.0 111.26 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.99 -46.73 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.892 0.477 . . . . 0.0 110.799 171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.8 mtt -61.14 -37.19 81.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.117 -0.944 . . . . 0.0 112.518 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -54.26 -54.62 37.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.341 1.428 . . . . 0.0 112.729 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -65.1 -23.42 67.15 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.204 -0.935 . . . . 0.0 113.342 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.12 -22.32 27.15 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.067 1.347 . . . . 0.0 111.576 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -82.32 -40.65 21.16 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.582 1.553 . . . . 0.0 111.261 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.9 p -70.56 -30.72 67.5 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.811 -0.556 . . . . 0.0 111.185 169.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.43 28.67 21.58 Favored Glycine 0 C--N 1.342 0.912 0 C-N-CA 124.882 1.229 . . . . 0.0 114.32 169.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -95.36 109.63 46.22 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.288 1.035 . . . . 0.0 111.013 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.13 -4.82 15.24 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.528 2.819 . . . . 0.0 113.358 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -90.21 -16.37 29.57 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.977 0.911 . . . . 0.0 112.411 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.67 142.09 53.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.835 1.254 . . . . 0.0 111.842 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.03 -34.48 65.89 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -75.25 -33.7 61.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.633 1.106 . . . . 0.0 111.881 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.7 66.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.311 0.645 . . . . 0.0 111.91 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.39 -49.47 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.029 0.932 . . . . 0.0 109.828 170.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.05 74.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.693 0.797 . . . . 0.0 111.783 174.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -57.61 -48.44 79.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.852 0.751 . . . . 0.0 113.002 173.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -60.94 -44.38 97.34 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.671 1.123 . . . . 0.0 112.515 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.39 -40.64 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.749 1.22 . . . . 0.0 112.061 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -77.41 -31.97 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.072 0.949 . . . . 0.0 111.976 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.623 1.101 . . . . 0.0 109.563 169.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.99 -42.4 99.1 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.607 0.64 . . . . 0.0 111.993 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.68 -56.98 15.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.955 0.502 . . . . 0.0 110.76 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -52.05 -38.84 58.43 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.109 1.763 . . . . 0.0 113.173 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -80.01 -49.13 12.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.037 1.335 . . . . 0.0 113.393 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.2 mm -110.48 -48.97 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 mmt -108.76 37.6 2.49 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.218 1.407 . . . . 0.0 112.659 -169.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -56.71 135.32 55.23 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.232 1.013 . . . . 0.0 113.528 -169.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.49 -40.64 61.7 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.187 0.995 . . . . 0.0 112.804 -175.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -161.62 152.56 18.11 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.419 1.088 . . . . 0.0 113.016 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.9 p -173.29 156.46 3.13 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.232 1.813 . . . . 0.0 111.711 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.602 1.561 . . . . 0.0 112.173 -177.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.942 0 CA-C-O 119.532 -0.594 . . . . 0.0 112.978 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.05 160.37 36.76 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 124.08 3.186 . . . . 0.0 112.176 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -65.22 -18.78 65.58 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.518 0.727 . . . . 0.0 112.475 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.13 -15.86 63.97 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.135 1.374 . . . . 0.0 113.765 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -77.18 51.66 0.85 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.926 1.29 . . . . 0.0 112.632 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -60.55 164.01 4.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.683 1.593 . . . . 0.0 112.89 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.88 -33.38 70.42 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.62 1.168 . . . . 0.0 113.608 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.63 57.13 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.448 1.099 . . . . 0.0 113.016 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -81.43 -42.65 20.06 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.719 1.208 . . . . 0.0 112.856 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.42 141.29 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.452 1.101 . . . . 0.0 112.458 -171.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 tt -140.72 152.47 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.665 1.586 . . . . 0.0 110.8 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.43 105.26 17.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.676 0.79 . . . . 0.0 110.453 174.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.16 -35.58 75.65 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.127 0.971 . . . . 0.0 112.639 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.85 -39.73 87.69 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.107 0.963 . . . . 0.0 111.625 174.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.1 76.98 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.443 -0.785 . . . . 0.0 111.546 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.53 -42.64 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.387 1.075 . . . . 0.0 111.139 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.13 -47.36 83.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.847 0.859 . . . . 0.0 111.58 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.39 -47.88 71.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 117.906 -1.045 . . . . 0.0 113.296 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.9 -31.64 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 120.693 1.588 . . . . 0.0 113.051 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.31 -37.05 69.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.291 1.036 . . . . 0.0 112.059 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -91.72 -52.39 4.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.021 1.328 . . . . 0.0 111.063 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -53.45 -46.78 69.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.622 1.569 . . . . 0.0 112.352 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -101.85 -4.64 25.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.025 1.33 . . . . 0.0 114.152 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 63.41 30.42 15.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.755 1.622 . . . . 0.0 113.369 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.72 -148.87 0.39 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.385 1.874 . . . . 0.0 111.727 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -131.07 148.06 52.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.605 1.162 . . . . 0.0 110.959 170.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -55.65 -42.24 74.76 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.787 0.835 . . . . 0.0 110.168 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -60.07 -42.14 93.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.392 1.077 . . . . 0.0 112.75 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -80.01 -30.12 39.54 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.139 0.881 . . . . 0.0 112.191 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.91 -49.74 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.928 -0.483 . . . . 0.0 110.088 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtm -62.17 -40.88 97.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.764 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -52.21 -56.45 14.57 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.122 0.874 . . . . 0.0 110.84 172.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -61.87 -21.61 64.83 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -87.47 -25.38 23.76 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.735 0.814 . . . . 0.0 113.133 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -111.64 -33.44 6.35 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -174.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -130.13 -17.57 3.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.681 1.193 . . . . 0.0 114.184 -172.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.65 -125.51 2.79 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.506 1.05 . . . . 0.0 110.524 169.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -146.33 139.31 14.32 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.493 1.117 . . . . 0.0 110.887 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -55.5 -15.0 10.94 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.231 3.287 . . . . 0.0 116.835 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -88.2 -2.6 58.7 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.172 0.989 . . . . 0.0 112.911 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.1 145.84 55.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.477 1.111 . . . . 0.0 111.546 169.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -47.82 -38.64 16.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.043 1.337 . . . . 0.0 114.188 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -76.21 -37.22 58.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.39 0.995 . . . . 0.0 112.14 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.58 73.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.305 0.642 . . . . 0.0 111.402 171.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -57.55 -46.18 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.256 1.023 . . . . 0.0 110.999 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.21 75.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.502 1.046 . . . . 0.0 112.272 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.39 -47.21 76.21 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.07 0.948 . . . . 0.0 112.36 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.55 -42.65 95.56 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.101 -0.999 . . . . 0.0 113.321 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.48 -36.62 84.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.602 1.161 . . . . 0.0 111.96 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.84 -32.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.473 0.709 . . . . 0.0 111.489 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -68.9 -35.94 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.328 0.967 . . . . 0.0 111.541 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.42 -45.08 89.07 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.664 -1.272 . . . . 0.0 111.97 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.11 -54.3 48.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.119 0.967 . . . . 0.0 111.229 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -54.91 -36.33 65.09 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.386 2.275 . . . . 0.0 113.921 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -83.48 -55.11 4.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 0.0 113.194 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.8 mm -92.66 -56.75 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.32 1.048 . . . . 0.0 112.508 -169.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 60.8 mtt -73.04 -17.33 61.45 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -171.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -66.82 -20.73 65.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.399 1.48 . . . . 0.0 113.586 171.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -72.85 139.7 47.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.861 0.864 . . . . 0.0 111.473 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.6 159.88 30.73 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.138 0.975 . . . . 0.0 113.091 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.4 p -81.23 -9.73 59.73 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.561 1.944 . . . . 0.0 112.84 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.083 0 CA-C-O 119.711 -0.494 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -79.16 -21.21 9.4 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.22 3.28 . . . . 0.0 113.943 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -120.74 151.14 39.93 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.955 1.302 . . . . 0.0 111.218 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.1 mmt -75.57 166.98 22.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.323 1.049 . . . . 0.0 112.728 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 m -68.73 -20.21 64.38 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -113.99 -61.88 1.68 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.817 1.247 . . . . 0.0 111.757 171.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -161.82 129.18 3.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.906 1.282 . . . . 0.0 111.428 -172.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.59 46.52 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -65.89 -37.33 85.82 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.803 0.729 . . . . 0.0 112.766 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -77.81 24.43 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.328 1.451 . . . . 0.0 113.621 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -145.65 156.58 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 126.965 2.106 . . . . 0.0 110.917 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -146.49 121.0 9.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.41 1.484 . . . . 0.0 107.007 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.6 -21.81 63.07 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -84.21 -40.59 17.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.351 0.66 . . . . 0.0 112.443 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.83 83.67 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.245 -0.909 . . . . 0.0 111.172 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.78 -31.51 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.665 1.186 . . . . 0.0 111.517 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.34 -49.26 51.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.186 -0.946 . . . . 0.0 111.121 169.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.33 -45.31 76.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.7 p -54.76 -24.37 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.027 1.331 . . . . 0.0 113.517 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -65.42 -43.18 91.32 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 118.451 0.569 . . . . 0.0 112.14 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -91.29 -32.77 15.6 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.667 0.787 . . . . 0.0 112.831 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -71.59 -39.61 70.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.079 1.352 . . . . 0.0 112.156 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.81 -2.97 19.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.141 1.377 . . . . 0.0 114.535 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 64.71 28.22 13.06 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.69 1.596 . . . . 0.0 113.911 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.3 m -118.07 159.7 22.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.507 1.923 . . . . 0.0 110.39 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 p -76.37 152.1 36.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 120.604 -1.31 . . . . 0.0 111.584 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -56.41 -44.68 80.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.087 0.555 . . . . 0.0 110.347 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.9 p -66.15 -27.39 67.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.59 -42.64 70.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.238 0.926 . . . . 0.0 110.552 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -70.03 -37.56 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.841 -0.537 . . . . 0.0 111.776 178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -41.8 77.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.522 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -57.39 -48.18 79.75 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.717 1.144 . . . . 0.0 112.586 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 m -69.65 -12.33 61.55 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -97.7 -16.17 20.05 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.109 1.364 . . . . 0.0 112.314 172.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -97.42 -48.82 5.15 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.707 2.003 . . . . 0.0 112.996 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.7 p -142.75 -20.11 0.66 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.86 169.14 54.82 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 169.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -76.08 138.72 68.74 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 122.041 -0.682 . . . . 0.0 111.38 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.23 2.2 4.02 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.779 2.986 . . . . 0.0 114.834 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -109.2 7.4 25.4 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.105 1.362 . . . . 0.0 112.167 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.05 150.41 42.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.677 1.191 . . . . 0.0 110.912 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -48.58 -36.55 15.84 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.99 -36.74 40.84 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.994 0.815 . . . . 0.0 112.098 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.61 84.31 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.991 0.516 . . . . 0.0 111.363 171.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.53 -43.97 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.729 1.212 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.56 71.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.791 1.178 . . . . 0.0 111.874 173.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -54.13 -48.91 70.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.136 0.574 . . . . 0.0 111.779 171.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.51 -46.08 91.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.167 -0.958 . . . . 0.0 112.387 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.8 -36.1 82.05 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.581 1.152 . . . . 0.0 111.692 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.01 -37.46 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.592 0.757 . . . . 0.0 111.438 175.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.3 mm -61.69 -42.53 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.987 0.915 . . . . 0.0 110.939 169.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.85 -46.1 89.48 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.977 0.808 . . . . 0.0 111.315 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -57.32 -55.33 36.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.207 -0.933 . . . . 0.0 110.899 172.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -55.28 -51.23 67.34 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.538 1.935 . . . . 0.0 114.096 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -97.31 -36.3 10.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.231 1.012 . . . . 0.0 113.602 -170.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.5 mm -100.14 -27.37 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-O 118.023 -0.989 . . . . 0.0 112.647 -174.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.9 tpt 112.83 -29.62 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 131.159 3.784 . . . . 0.0 111.047 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -166.4 161.03 16.16 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.991 1.716 . . . . 0.0 112.217 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.53 149.85 49.84 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.896 0.878 . . . . 0.0 110.926 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.44 -19.26 56.31 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -173.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.4 p -165.49 161.58 18.75 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.249 1.819 . . . . 0.0 111.381 -176.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.326 1.45 . . . . 0.0 113.154 179.506 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.993 0 CA-C-O 119.215 -0.769 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.48 -21.01 23.06 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.954 3.103 . . . . 0.0 114.31 -171.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -63.04 -18.88 63.83 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.553 1.07 . . . . 0.0 112.701 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 55.5 mtt -65.33 -8.7 19.54 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.553 -1.342 . . . . 0.0 113.393 172.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -74.4 -15.45 60.92 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.123 0.969 . . . . 0.0 112.286 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -129.72 -27.6 2.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.757 1.623 . . . . 0.0 113.594 -173.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.96 151.84 41.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.084 1.354 . . . . 0.0 112.279 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.45 -19.21 8.7 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -70.42 -10.62 59.6 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -54.72 145.5 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.374 1.469 . . . . 0.0 112.395 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 tt -138.67 168.1 20.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.859 1.264 . . . . 0.0 112.104 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -139.11 129.04 24.99 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.736 1.214 . . . . 0.0 109.716 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.48 -30.86 68.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.721 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -68.89 -44.57 72.95 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.23 0.612 . . . . 0.0 111.184 174.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.89 -44.4 85.41 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.398 -0.814 . . . . 0.0 111.375 175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -57.37 -45.0 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.164 0.893 . . . . 0.0 111.27 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.36 -46.1 86.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.145 0.978 . . . . 0.0 111.995 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.99 -47.77 76.33 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.635 -0.698 . . . . 0.0 112.099 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 87.2 t -55.02 -38.1 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.961 1.304 . . . . 0.0 111.079 176.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.1 t -59.83 -34.95 73.75 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.16 -52.36 5.1 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.805 0.842 . . . . 0.0 111.657 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.44 -39.85 94.62 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.851 1.661 . . . . 0.0 112.956 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -103.46 -3.54 25.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.257 1.423 . . . . 0.0 113.964 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 63.79 26.93 14.53 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.82 1.648 . . . . 0.0 114.097 170.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.5 m -111.64 164.75 12.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.278 1.831 . . . . 0.0 111.592 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -77.26 150.78 35.31 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.157 -0.964 . . . . 0.0 110.705 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -55.5 -44.39 76.52 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.512 0.725 . . . . 0.0 111.079 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -58.95 -29.17 66.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.701 1.2 . . . . 0.0 113.386 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.91 -34.79 66.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.184 0.902 . . . . 0.0 111.415 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.54 -39.63 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.087 0.555 . . . . 0.0 110.237 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.8 mtt -65.9 -47.18 75.66 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.67 0.788 . . . . 0.0 111.841 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -50.42 -56.05 13.15 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.526 1.13 . . . . 0.0 112.796 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 m -68.82 -14.42 63.02 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -95.44 -22.36 17.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.57 1.148 . . . . 0.0 112.545 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -96.59 -44.09 7.3 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 113.183 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.8 p -137.49 -13.53 1.52 Allowed 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -170.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.59 -133.14 3.44 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.223 0.916 . . . . 0.0 111.299 169.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -140.61 139.7 20.78 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 124.45 1.1 . . . . 0.0 111.328 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -55.93 -13.86 9.86 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.486 3.457 . . . . 0.0 117.232 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -91.1 -3.51 57.05 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.67 1.123 . . . . 0.0 113.083 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.46 151.07 48.02 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.822 1.249 . . . . 0.0 112.488 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -52.26 -37.77 56.33 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.762 1.225 . . . . 0.0 114.019 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mt -71.64 -37.4 70.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.428 1.013 . . . . 0.0 112.242 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.95 68.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.095 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.73 -44.83 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.53 1.132 . . . . 0.0 110.711 171.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.23 -50.29 71.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.684 1.129 . . . . 0.0 111.755 172.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.02 -49.97 65.2 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.302 0.641 . . . . 0.0 112.306 172.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.27 -47.12 87.46 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.047 0.84 . . . . 0.0 112.24 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -32.57 74.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.778 1.231 . . . . 0.0 112.405 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.9 mt -79.84 -34.81 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.763 0.825 . . . . 0.0 111.424 177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.26 -44.98 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.954 0.901 . . . . 0.0 109.404 169.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.35 -44.49 91.3 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.906 0.775 . . . . 0.0 111.909 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -57.19 -44.23 83.41 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.723 0.692 . . . . 0.0 110.955 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -64.42 -45.43 87.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.698 1.999 . . . . 0.0 113.148 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -81.64 -43.22 18.87 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.937 1.295 . . . . 0.0 113.433 -172.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.0 mm -81.03 -28.34 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.668 1.187 . . . . 0.0 111.157 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 ttt 82.78 53.53 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.962 2.505 . . . . 0.0 109.903 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 81.3 135.18 0.06 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 130.097 3.359 . . . . 0.0 112.664 -170.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -78.5 158.62 28.55 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.343 1.457 . . . . 0.0 111.821 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.79 161.63 29.42 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.862 0.865 . . . . 0.0 112.739 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -74.13 -14.52 60.98 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.254 1.299 0 C-N-CA 127.154 2.182 . . . . 0.0 113.533 -175.573 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 CA-C-O 119.376 -0.68 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.19 161.61 22.47 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 124.611 3.541 . . . . 0.0 113.632 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -156.52 157.75 35.96 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.105 1.362 . . . . 0.0 111.022 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.0 ttm 72.47 -43.41 0.56 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.28 2.632 . . . . 0.0 113.799 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 m -57.58 -19.05 23.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.853 1.661 . . . . 0.0 114.996 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -77.67 -16.72 58.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.652 1.181 . . . . 0.0 113.926 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -93.06 137.34 32.5 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.586 1.155 . . . . 0.0 112.991 -173.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.68 -19.85 18.61 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.0 -19.86 64.75 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.049 0.939 . . . . 0.0 113.356 173.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 m -125.18 151.23 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.792 1.237 . . . . 0.0 111.146 174.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -147.78 168.15 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.229 1.411 . . . . 0.0 111.298 -171.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -84.75 114.1 21.81 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.67 0.748 . . . . 0.0 110.187 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.65 -31.18 66.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.02 0.928 . . . . 0.0 112.271 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.61 -40.6 63.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.85 0.75 . . . . 0.0 112.031 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -52.35 65.45 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 172.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.54 -37.46 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.58 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -57.01 -50.43 72.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.46 -51.46 69.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.594 0.634 . . . . 0.0 111.238 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.83 -42.64 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.462 1.028 . . . . 0.0 111.991 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -53.51 -51.28 63.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.955 0.902 . . . . 0.0 112.482 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.58 -29.69 16.79 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.9 -43.49 68.2 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.137 -0.977 . . . . 0.0 111.853 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -93.64 -14.85 25.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.501 1.12 . . . . 0.0 113.733 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.69 71.51 0.17 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.929 2.092 . . . . 0.0 111.583 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.8 t -145.51 -146.58 0.19 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.894 1.678 . . . . 0.0 110.974 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.4 p -134.31 149.73 50.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.249 1.82 . . . . 0.0 110.575 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.01 -43.04 73.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 111.291 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -62.67 -43.0 99.92 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.782 0.833 . . . . 0.0 112.539 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.87 -38.88 76.54 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.973 0.806 . . . . 0.0 111.403 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.01 -46.97 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 122.945 0.498 . . . . 0.0 110.945 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtt -61.33 -41.23 96.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.299 0.64 . . . . 0.0 112.133 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -56.31 -52.36 64.83 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.301 0.955 . . . . 0.0 111.796 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -63.59 -19.88 65.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.588 1.54 . . . . 0.0 114.263 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.9 -24.94 24.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.939 . . . . 0.0 112.664 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -111.5 -44.62 3.49 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -174.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.7 p -121.36 -17.52 7.59 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.339 1.456 . . . . 0.0 114.554 -171.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.79 -126.75 2.12 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.503 1.049 . . . . 0.0 110.961 170.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -146.2 140.07 15.1 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 124.425 1.09 . . . . 0.0 111.145 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -55.35 -12.65 6.04 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.71 3.607 . . . . 0.0 116.904 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -90.12 -7.17 54.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.596 1.158 . . . . 0.0 112.605 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.9 148.97 50.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.504 1.121 . . . . 0.0 112.201 172.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -54.05 -35.0 61.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.479 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -74.24 -32.74 63.09 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.055 1.298 . . . . 0.0 112.572 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -36.76 58.31 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.342 0.657 . . . . 0.0 111.934 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.69 -44.94 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.121 0.968 . . . . 0.0 110.249 169.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.01 72.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.797 0.839 . . . . 0.0 111.522 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -52.92 -47.58 67.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.986 0.914 . . . . 0.0 113.109 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -61.44 -50.18 73.84 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.417 -0.802 . . . . 0.0 112.603 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.77 -39.44 91.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.854 1.261 . . . . 0.0 112.345 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.58 -31.83 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.954 0.902 . . . . 0.0 111.078 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.81 -41.25 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.509 1.049 . . . . 0.0 110.745 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.9 -41.23 95.67 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.336 0.971 . . . . 0.0 112.08 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.62 -56.35 20.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.5 0.72 . . . . 0.0 110.886 170.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.23 -39.2 56.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.511 1.524 . . . . 0.0 113.148 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -84.0 -52.63 6.16 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.449 1.499 . . . . 0.0 113.842 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.4 mt -101.67 -43.05 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 124.085 0.954 . . . . 0.0 113.371 -169.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ptp -134.69 71.16 1.44 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.501 1.12 . . . . 0.0 112.344 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -62.59 132.35 52.09 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.938 0.895 . . . . 0.0 112.035 -174.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -86.86 -23.13 25.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.942 0.897 . . . . 0.0 112.741 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.58 -18.25 59.8 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 p -90.67 -5.23 56.06 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.347 1.459 . . . . 0.0 114.033 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.256 1.442 0 C-N-CA 125.252 1.421 . . . . 0.0 114.052 -179.854 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 CA-C-O 119.654 -0.526 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -74.16 161.61 40.43 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 124.202 3.268 . . . . 0.0 112.173 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -81.23 139.08 35.71 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.767 0.827 . . . . 0.0 112.19 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.4 mtp -79.64 157.73 27.21 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.449 0.7 . . . . 0.0 109.751 169.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -55.07 -39.06 68.84 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -69.84 -33.82 72.81 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.84 -28.29 30.24 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.998 1.319 . . . . 0.0 112.333 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.91 84.75 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.327 1.051 . . . . 0.0 110.644 169.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -72.65 -37.95 67.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.128 0.971 . . . . 0.0 112.598 172.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t 74.04 93.63 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 128.815 2.846 . . . . 0.0 109.155 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 tp -147.64 146.78 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 124.15 0.98 . . . . 0.0 112.088 -169.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.48 101.07 12.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.543 1.137 . . . . 0.0 108.604 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.39 -32.93 73.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.165 0.986 . . . . 0.0 112.331 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.51 -39.63 94.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.608 0.763 . . . . 0.0 111.495 171.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.66 86.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.889 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.29 -46.38 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 119.434 1.016 . . . . 0.0 110.429 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -59.35 -43.87 92.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.647 0.779 . . . . 0.0 111.657 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -61.79 -42.26 98.77 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.179 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.77 -43.3 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.85 1.659 . . . . 0.0 111.498 173.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.66 -52.55 59.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.449 0.568 . . . . 0.0 112.452 176.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.61 -35.8 29.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -84.82 -44.21 13.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.135 0.974 . . . . 0.0 112.079 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -84.55 -12.9 53.24 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 67.54 70.97 0.35 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.365 1.866 . . . . 0.0 111.326 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -160.33 172.57 17.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.443 1.897 . . . . 0.0 110.237 -171.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.1 p -91.85 148.75 21.99 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 120.42 1.464 . . . . 0.0 112.067 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.79 -36.68 72.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.341 0.657 . . . . 0.0 111.183 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -63.59 -40.62 97.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.825 0.85 . . . . 0.0 112.532 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.34 -41.31 80.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.755 -0.591 . . . . 0.0 111.143 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.46 -48.55 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.375 0.67 . . . . 0.0 111.107 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 81.1 mmm -63.69 -35.39 80.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 117.963 -1.018 . . . . 0.0 113.411 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -51.37 -57.59 8.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.138 1.336 . . . . 0.0 112.402 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 m -63.94 -26.22 68.49 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.208 -0.933 . . . . 0.0 113.216 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -83.49 -22.37 32.53 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.261 1.424 . . . . 0.0 111.659 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -83.96 -41.41 17.36 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.419 1.488 . . . . 0.0 110.952 172.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.0 m -66.39 -30.92 71.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.434 0.694 . . . . 0.0 112.276 170.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.36 32.64 13.24 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.752 1.167 . . . . 0.0 113.506 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -100.39 108.14 51.43 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.563 1.145 . . . . 0.0 110.533 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -80.01 -6.49 14.09 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.46 2.773 . . . . 0.0 113.643 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -94.12 -11.68 30.0 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.218 0.917 . . . . 0.0 112.786 -175.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -68.32 143.36 55.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.715 1.206 . . . . 0.0 112.019 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.48 -33.51 68.07 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.77 -27.85 40.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.945 1.248 . . . . 0.0 112.554 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.76 -37.58 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.905 0.775 . . . . 0.0 111.564 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.81 -49.97 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.546 1.139 . . . . 0.0 109.671 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.79 -47.84 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 171.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -58.37 -44.82 89.02 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.83 0.852 . . . . 0.0 113.164 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -61.85 -52.35 64.51 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.4 -0.813 . . . . 0.0 111.369 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.81 -33.89 72.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.253 1.421 . . . . 0.0 111.985 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.2 mt -78.39 -31.16 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.38 1.072 . . . . 0.0 112.238 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.0 -39.97 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.075 1.307 . . . . 0.0 109.689 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.45 -44.77 92.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.613 0.642 . . . . 0.0 111.127 171.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -57.01 -57.24 13.43 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.756 1.162 . . . . 0.0 111.452 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -53.7 -38.42 64.23 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.231 2.212 . . . . 0.0 114.541 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -100.77 -34.01 10.01 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.9 mt -96.03 -58.08 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.575 1.08 . . . . 0.0 111.472 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -70.26 -22.93 62.82 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.495 -0.753 . . . . 0.0 112.164 -172.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -67.61 -27.83 67.23 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.968 0.907 . . . . 0.0 113.076 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -99.61 -35.86 9.7 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.999 1.319 . . . . 0.0 112.121 -176.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.81 143.2 58.04 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.573 1.149 . . . . 0.0 113.09 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -86.86 -13.4 45.01 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.308 2.243 . . . . 0.0 113.297 -176.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 CA-C-O 119.387 -0.674 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.48 148.1 72.34 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 124.06 3.173 . . . . 0.0 111.512 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -166.94 167.24 14.92 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.503 1.521 . . . . 0.0 111.521 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.9 mtm -139.19 155.06 48.09 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.163 1.385 . . . . 0.0 111.667 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 p -73.85 -12.88 60.81 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.065 0.946 . . . . 0.0 113.237 171.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -53.49 -37.59 62.87 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.968 1.307 . . . . 0.0 113.447 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.7 -27.75 68.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.835 1.254 . . . . 0.0 113.433 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.09 -39.01 13.92 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.364 1.066 . . . . 0.0 111.843 170.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -73.02 -32.14 64.92 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -175.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.55 132.65 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.332 1.053 . . . . 0.0 111.353 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 tp -147.34 153.49 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.581 1.552 . . . . 0.0 111.009 -170.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.87 113.08 21.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.245 0.545 . . . . 0.0 109.623 169.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.68 -34.41 75.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.692 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -71.26 -37.41 71.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.113 0.869 . . . . 0.0 112.911 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.45 -49.21 69.98 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.012 0.823 . . . . 0.0 111.179 171.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.26 -44.85 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.68 0.673 . . . . 0.0 111.551 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -61.12 -42.86 99.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.297 1.039 . . . . 0.0 112.777 172.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.07 -53.75 53.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.376 173.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.2 t -52.15 -37.46 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 CA-C-N 119.663 1.119 . . . . 0.0 111.913 -174.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -51.39 -51.67 52.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.957 0.903 . . . . 0.0 112.876 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.48 -33.58 13.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.76 -41.24 62.73 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.924 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -99.2 -14.32 19.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.805 1.242 . . . . 0.0 114.002 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 70.81 74.63 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.654 1.982 . . . . 0.0 111.042 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -155.55 -177.95 6.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.931 1.692 . . . . 0.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -93.01 141.6 28.22 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.92 91.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.388 0.614 . . . . 0.0 112.516 -169.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.0 m -61.72 -28.64 69.56 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.73 1.212 . . . . 0.0 112.829 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -71.36 -30.45 66.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.399 -0.813 . . . . 0.0 112.047 173.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -66.32 -46.73 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.914 0.886 . . . . 0.0 109.516 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -59.55 -45.85 90.59 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.6 0.76 . . . . 0.0 110.84 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -55.04 -51.82 65.1 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.63 0.772 . . . . 0.0 112.339 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.7 p -69.23 -15.52 63.39 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.93 -23.79 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.289 1.035 . . . . 0.0 112.116 172.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -96.63 -52.46 3.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.901 1.281 . . . . 0.0 113.311 -175.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.1 p -125.53 -12.78 6.66 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.14 1.376 . . . . 0.0 114.251 -171.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.33 -133.07 3.77 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.456 1.027 . . . . 0.0 111.367 169.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -141.17 137.43 16.79 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.562 1.145 . . . . 0.0 111.408 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -57.79 -9.74 6.24 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.451 3.434 . . . . 0.0 117.473 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.0 -2.81 58.65 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.226 1.011 . . . . 0.0 112.34 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.12 146.74 42.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 112.276 170.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.56 -37.47 70.6 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.792 0.837 . . . . 0.0 113.176 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.25 -37.27 61.08 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.418 1.008 . . . . 0.0 111.422 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.75 -42.65 90.68 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.825 -0.547 . . . . 0.0 111.648 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.27 -44.98 93.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.627 1.171 . . . . 0.0 110.817 171.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.13 80.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.742 1.155 . . . . 0.0 112.136 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -55.22 -49.06 72.94 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.765 1.226 . . . . 0.0 111.905 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -62.03 -46.03 90.96 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.63 -0.669 . . . . 0.0 112.664 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.37 -35.53 80.71 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.33 1.052 . . . . 0.0 112.737 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -72.58 -38.36 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.152 0.981 . . . . 0.0 111.23 177.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.57 -43.11 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.727 0.694 . . . . 0.0 110.68 171.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.11 -52.13 66.66 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.414 0.686 . . . . 0.0 111.677 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.2 -40.56 96.49 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.011 -1.056 . . . . 0.0 112.189 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -59.67 -40.76 88.88 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.152 0.887 . . . . 0.0 112.706 171.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -71.2 -54.66 10.2 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.218 1.007 . . . . 0.0 113.318 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.7 pt -105.37 -23.67 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 -169.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.2 mtt -103.77 -16.13 15.52 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.086 1.312 . . . . 0.0 114.319 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -64.78 -33.33 75.73 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -162.26 146.06 11.94 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.649 1.58 . . . . 0.0 109.854 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.43 56.12 1.06 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.166 1.386 . . . . 0.0 111.994 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 m -69.86 -15.57 63.11 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.341 1.457 . . . . 0.0 114.358 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.594 1.957 . . . . 0.0 112.173 -178.269 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 CA-C-O 119.646 -0.53 . . . . 0.0 112.78 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.53 161.68 34.0 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.318 3.345 . . . . 0.0 112.085 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -62.38 -21.9 65.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.698 0.799 . . . . 0.0 113.071 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 91.2 mmm -63.17 -21.16 66.03 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.075 0.95 . . . . 0.0 113.467 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -69.84 -21.93 63.32 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -102.64 -28.27 12.23 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.049 1.34 . . . . 0.0 113.004 173.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -52.64 -34.39 51.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.134 1.374 . . . . 0.0 114.037 -175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.85 -27.84 45.42 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.046 1.338 . . . . 0.0 113.646 175.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -81.33 -17.93 47.48 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.749 1.22 . . . . 0.0 113.556 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.0 t -86.0 124.22 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.755 1.222 . . . . 0.0 109.395 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 tp -148.32 158.64 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.581 1.152 . . . . 0.0 112.538 -171.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.05 102.3 14.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.97 0.908 . . . . 0.0 108.746 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.96 -36.47 83.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.64 0.776 . . . . 0.0 112.346 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.57 -41.52 98.39 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.065 0.946 . . . . 0.0 111.324 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -49.09 74.44 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.602 -0.687 . . . . 0.0 110.934 173.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.4 t -57.02 -43.23 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.313 0.96 . . . . 0.0 111.296 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -58.22 -47.99 81.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.745 0.818 . . . . 0.0 111.506 171.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -61.19 -44.39 97.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.083 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -57.16 -43.82 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 121.279 1.854 . . . . 0.0 111.469 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 t -52.66 -53.0 53.21 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.409 0.684 . . . . 0.0 112.18 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.34 23.2 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -77.12 -48.18 18.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.974 1.309 . . . . 0.0 112.119 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -90.42 -13.51 34.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.462 1.105 . . . . 0.0 113.76 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 71.67 70.19 0.16 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.955 2.102 . . . . 0.0 111.133 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.99 -174.16 4.56 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.684 1.594 . . . . 0.0 111.176 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -102.51 148.07 25.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.587 1.155 . . . . 0.0 111.051 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.53 -37.82 70.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.711 0.804 . . . . 0.0 110.797 176.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -64.66 -39.9 94.48 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.271 1.028 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -78.56 -34.16 47.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.305 0.957 . . . . 0.0 112.1 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.42 -46.18 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.626 0.648 . . . . 0.0 110.296 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.6 mmm -59.45 -44.49 92.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.721 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -47.11 -60.67 2.31 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 112.869 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -61.44 -32.72 72.7 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.729 -1.232 . . . . 0.0 113.342 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.1 mt -78.09 -25.08 47.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.427 1.091 . . . . 0.0 111.94 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -86.91 -32.62 20.08 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.603 1.161 . . . . 0.0 111.139 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.2 m -68.35 -32.07 71.9 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.698 1.199 . . . . 0.0 111.691 169.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.96 28.29 10.17 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.043 1.306 . . . . 0.0 113.803 169.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -102.78 107.76 55.69 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.265 1.026 . . . . 0.0 110.378 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.37 -8.53 13.87 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.423 2.749 . . . . 0.0 113.447 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -97.04 -9.46 28.08 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.415 1.086 . . . . 0.0 112.53 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.01 143.88 57.09 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.587 1.155 . . . . 0.0 111.57 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -50.6 -38.48 45.86 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -77.88 -31.33 51.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.044 0.838 . . . . 0.0 111.924 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.23 -37.51 61.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.347 0.659 . . . . 0.0 111.974 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -60.36 -46.16 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.412 1.085 . . . . 0.0 109.934 170.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.93 -48.09 79.1 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.746 . . . . 0.0 111.872 171.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -54.87 -46.16 74.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.012 0.925 . . . . 0.0 112.912 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -63.34 -48.5 77.72 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.343 -0.848 . . . . 0.0 112.498 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.37 -38.26 90.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.357 1.063 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.84 -33.22 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.348 1.059 . . . . 0.0 111.152 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.49 -40.31 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.807 1.185 . . . . 0.0 110.647 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.82 -45.02 96.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.112 0.869 . . . . 0.0 111.422 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.66 -47.59 85.56 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.354 -0.841 . . . . 0.0 111.772 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 ttt-85 -59.78 -41.1 90.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.582 1.553 . . . . 0.0 113.189 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.3 tpt85 -94.66 -38.12 10.98 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -171.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mt -116.08 -24.12 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.673 1.189 . . . . 0.0 112.503 -170.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.8 ttm 95.93 -23.83 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 130.139 3.376 . . . . 0.0 111.423 -171.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 73.57 -51.46 0.7 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 128.905 2.882 . . . . 0.0 113.285 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -144.16 160.99 39.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.361 1.864 . . . . 0.0 110.262 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 68.29 10.41 7.83 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.643 1.977 . . . . 0.0 115.13 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 p -76.12 -13.57 60.2 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.843 1.257 . . . . 0.0 114.336 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--O 1.255 1.362 0 C-N-CA 127.331 2.253 . . . . 0.0 113.187 -179.125 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 CA-C-O 119.546 -0.585 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.04 166.11 29.85 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.249 3.3 . . . . 0.0 112.149 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -71.48 -20.8 62.03 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.2 ptp -158.3 157.98 33.51 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.128 1.771 . . . . 0.0 111.964 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -82.35 5.04 21.56 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -171.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -147.2 170.23 17.67 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.863 1.665 . . . . 0.0 113.435 -171.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -164.96 163.45 20.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.154 1.782 . . . . 0.0 111.857 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.62 -17.53 38.37 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -78.88 -26.94 43.91 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.469 1.107 . . . . 0.0 113.469 -175.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -42.97 134.86 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.925 2.09 . . . . 0.0 113.977 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.2 tt -80.76 159.79 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.708 1.203 . . . . 0.0 112.749 -175.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -105.66 118.65 37.12 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.597 -0.69 . . . . 0.0 111.144 169.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -60.54 -29.77 69.35 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.952 0.901 . . . . 0.0 112.721 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.25 -41.84 72.99 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.043 0.838 . . . . 0.0 111.134 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.72 78.85 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.951 172.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.52 -50.32 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.235 0.925 . . . . 0.0 111.284 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -59.59 -39.63 84.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.797 0.726 . . . . 0.0 112.435 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -67.35 -39.65 85.78 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.625 -0.703 . . . . 0.0 111.936 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.9 t -59.0 -43.91 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 111.203 172.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.9 m -58.18 -39.54 79.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.207 0.912 . . . . 0.0 112.483 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -72.89 -53.8 10.4 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.331 1.053 . . . . 0.0 111.877 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -63.57 -48.27 78.13 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.294 1.437 . . . . 0.0 112.539 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -96.26 -6.97 36.75 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.894 1.678 . . . . 0.0 114.013 -169.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 69.0 24.61 6.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.649 1.979 . . . . 0.0 113.986 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.8 p -104.49 -177.48 3.38 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.533 1.933 . . . . 0.0 112.803 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -106.67 156.87 18.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.318 1.847 . . . . 0.0 111.063 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.6 -45.73 66.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.308 1.043 . . . . 0.0 111.005 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -58.07 -29.79 65.69 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.16 -37.65 53.36 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.778 0.717 . . . . 0.0 110.96 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.19 -43.91 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.116 0.566 . . . . 0.0 110.289 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mmt -57.86 -47.82 81.58 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.739 1.216 . . . . 0.0 111.791 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -52.1 -56.05 16.93 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.577 0.751 . . . . 0.0 112.474 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -70.11 -13.69 62.32 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.18 -20.91 19.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.692 1.197 . . . . 0.0 112.715 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -111.05 -36.74 5.56 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.728 1.211 . . . . 0.0 114.116 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.9 m -131.92 -18.88 2.64 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.99 -131.36 4.05 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.163 0.887 . . . . 0.0 111.238 170.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -145.55 141.85 17.4 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.645 1.178 . . . . 0.0 111.135 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -53.35 -17.53 9.09 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 124.693 3.595 . . . . 0.0 117.128 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -84.03 -9.9 58.28 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.598 1.159 . . . . 0.0 112.623 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 148.66 50.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.478 1.111 . . . . 0.0 112.323 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -50.05 -42.46 49.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.369 1.468 . . . . 0.0 113.523 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.79 -32.93 71.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.242 0.928 . . . . 0.0 112.267 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.01 -36.48 35.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.607 0.763 . . . . 0.0 112.567 173.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.44 -42.73 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.182 0.993 . . . . 0.0 110.549 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.58 63.39 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.032 0.933 . . . . 0.0 111.287 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -56.64 -47.27 80.1 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.341 1.056 . . . . 0.0 113.245 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -63.2 -47.87 80.71 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.967 0.803 . . . . 0.0 112.24 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -37.13 85.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.065 0.946 . . . . 0.0 112.335 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mt -72.55 -35.78 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.722 0.809 . . . . 0.0 111.854 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -64.5 -42.05 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.63 1.105 . . . . 0.0 111.128 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -59.69 -48.36 81.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.417 1.008 . . . . 0.0 112.104 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.02 -45.58 90.34 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.191 -0.943 . . . . 0.0 111.294 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -59.47 -43.81 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 113.246 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -90.8 -32.51 16.07 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.2 mm -92.92 -39.61 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.353 0.978 . . . . 0.0 112.454 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 tpt -131.74 58.35 1.74 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.043 1.337 . . . . 0.0 111.501 -170.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -60.35 -16.02 31.17 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -74.4 -12.15 60.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.781 1.232 . . . . 0.0 113.462 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.67 113.89 1.82 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.323 0.965 . . . . 0.0 110.854 176.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.7 m -112.89 7.37 18.28 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.107 1.763 . . . . 0.0 111.857 179.379 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.107 0 CA-C-O 119.382 -0.677 . . . . 0.0 112.733 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.71 148.01 70.75 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.809 3.006 . . . . 0.0 111.829 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -166.83 176.34 7.14 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.472 1.509 . . . . 0.0 111.064 -173.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -52.8 108.67 0.33 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.941 1.697 . . . . 0.0 111.802 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 m -142.04 -26.43 0.65 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -169.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -155.49 154.96 32.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.638 1.175 . . . . 0.0 112.645 -170.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -53.26 -37.91 62.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.848 1.659 . . . . 0.0 114.78 -171.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.73 -23.01 49.5 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.33 -27.02 13.41 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.934 1.294 . . . . 0.0 114.171 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.5 m -65.48 151.03 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 119.168 0.895 . . . . 0.0 112.629 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -82.59 153.97 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.655 1.182 . . . . 0.0 111.175 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -93.16 112.08 23.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.493 -0.755 . . . . 0.0 110.483 169.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.6 -31.09 67.73 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.092 0.957 . . . . 0.0 112.292 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.21 -38.81 68.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.366 0.53 . . . . 0.0 111.656 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.83 -45.25 78.84 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.61 -0.681 . . . . 0.0 110.915 173.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -56.41 -46.14 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.388 0.995 . . . . 0.0 110.89 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -61.99 -41.65 98.27 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.568 0.747 . . . . 0.0 112.496 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -65.92 -46.31 78.74 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.633 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.8 t -56.21 -39.21 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.582 1.153 . . . . 0.0 111.273 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.03 -37.0 68.62 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.09 -54.69 4.47 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.078 0.951 . . . . 0.0 111.523 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.67 -42.44 95.39 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.464 1.906 . . . . 0.0 113.221 -173.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -98.12 -7.97 28.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.488 1.515 . . . . 0.0 114.047 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 69.66 24.95 5.32 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.472 1.909 . . . . 0.0 114.402 170.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 p -103.22 -178.86 3.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.041 1.736 . . . . 0.0 112.375 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -86.85 151.58 23.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.957 0.903 . . . . 0.0 109.946 169.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.55 -45.62 91.28 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.529 0.732 . . . . 0.0 111.306 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -58.93 -31.49 68.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.922 0.889 . . . . 0.0 112.788 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -72.51 -30.33 64.39 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.657 -0.652 . . . . 0.0 112.135 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -64.99 -49.39 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.791 0.723 . . . . 0.0 109.469 172.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.4 mtp -61.51 -42.85 99.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.59 0.756 . . . . 0.0 111.708 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -52.62 -56.34 16.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.24 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.2 m -65.72 -16.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.1 mt -94.91 -23.33 17.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.076 1.35 . . . . 0.0 112.384 176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -101.97 -37.91 8.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.95 1.3 . . . . 0.0 113.323 -174.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.9 p -141.83 -11.68 0.88 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -173.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.2 -130.3 3.0 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-N 119.167 0.894 . . . . 0.0 111.099 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -140.93 138.52 18.2 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.479 1.112 . . . . 0.0 111.435 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.41 -18.35 14.51 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 124.505 3.47 . . . . 0.0 116.887 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -89.6 -3.86 58.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.243 1.017 . . . . 0.0 112.995 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.38 147.93 52.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.228 1.011 . . . . 0.0 112.04 170.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -50.99 -38.75 53.05 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.97 -36.83 69.94 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.899 0.88 . . . . 0.0 112.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.16 -36.44 64.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.365 0.666 . . . . 0.0 112.026 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.97 0.908 . . . . 0.0 110.832 173.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.33 71.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.242 0.928 . . . . 0.0 111.625 170.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -56.8 -45.8 82.01 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 113.192 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -64.06 -45.42 88.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.28 0.946 . . . . 0.0 112.559 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.93 -38.13 87.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 63.4 mt -74.28 -34.81 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.144 0.978 . . . . 0.0 111.575 178.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.2 -40.16 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.354 0.979 . . . . 0.0 110.991 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -62.56 -42.88 99.82 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.444 1.475 . . . . 0.0 112.389 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.74 -51.87 67.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.335 0.97 . . . . 0.0 110.918 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -58.81 -41.61 87.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.694 1.998 . . . . 0.0 113.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -79.11 -43.77 23.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.81 1.644 . . . . 0.0 113.188 -176.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -87.43 -62.18 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.147 0.979 . . . . 0.0 110.893 -173.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -175.61 128.19 0.25 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.738 1.615 . . . . 0.0 109.881 -171.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -76.76 63.0 2.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.894 0.877 . . . . 0.0 113.019 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -70.21 145.46 51.4 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.692 1.197 . . . . 0.0 110.426 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.98 165.31 34.35 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.618 1.567 . . . . 0.0 111.564 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.0 p -80.37 161.52 24.96 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.581 1.152 . . . . 0.0 113.211 175.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.839 1.656 . . . . 0.0 112.241 -178.448 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 CA-C-O 119.551 -0.583 . . . . 0.0 112.996 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.16 162.05 37.33 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 124.278 3.319 . . . . 0.0 112.061 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -79.43 0.25 30.13 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.5 tpp -152.69 136.13 15.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.375 1.87 . . . . 0.0 110.69 -176.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 p -84.33 -23.87 30.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.49 1.116 . . . . 0.0 113.579 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -68.45 136.06 52.65 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.443 1.097 . . . . 0.0 112.319 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -170.07 153.98 4.88 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 127.08 2.152 . . . . 0.0 109.853 -175.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.2 -32.0 22.29 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.655 1.182 . . . . 0.0 113.926 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -68.32 -21.62 64.75 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.5 t -91.65 80.55 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.581 1.552 . . . . 0.0 108.255 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -73.41 163.34 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.39 1.076 . . . . 0.0 112.566 -171.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -136.09 125.08 24.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.258 0.623 . . . . 0.0 110.907 169.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.09 -35.5 69.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.676 1.19 . . . . 0.0 112.21 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.96 -40.36 75.46 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.919 0.781 . . . . 0.0 111.768 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.23 25.05 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.865 -0.522 . . . . 0.0 111.244 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.8 -48.87 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.069 0.947 . . . . 0.0 110.49 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -70.41 -22.61 62.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -81.06 -32.76 33.86 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.55 171.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.95 -35.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 120.884 1.675 . . . . 0.0 111.372 170.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 m -54.78 -33.98 62.1 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.957 0.903 . . . . 0.0 113.107 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.29 -53.62 4.02 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.011 1.325 . . . . 0.0 111.586 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -59.72 -40.91 89.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.598 1.159 . . . . 0.0 112.795 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.28 -1.71 18.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.475 1.51 . . . . 0.0 113.885 -171.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 64.54 29.63 13.13 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.008 1.723 . . . . 0.0 113.541 175.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.72 -163.4 0.99 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.276 1.431 . . . . 0.0 112.029 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -128.24 149.04 50.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.962 1.705 . . . . 0.0 110.904 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.62 -44.42 81.16 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.673 0.789 . . . . 0.0 110.905 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.4 m -61.27 -35.09 76.33 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.374 -0.829 . . . . 0.0 112.993 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -77.96 -39.38 42.73 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.728 -0.608 . . . . 0.0 110.892 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.4 -41.65 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.812 0.845 . . . . 0.0 111.395 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -61.64 -39.88 92.93 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 117.846 -1.073 . . . . 0.0 112.373 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -51.33 -55.83 16.29 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 120.522 1.51 . . . . 0.0 113.539 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 m -61.54 -29.99 70.36 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.754 -1.216 . . . . 0.0 113.028 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.18 -23.4 30.58 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.22 1.408 . . . . 0.0 112.12 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -80.14 -33.75 38.27 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.755 1.222 . . . . 0.0 110.547 169.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -69.29 -32.32 71.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.585 1.154 . . . . 0.0 110.961 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.53 22.83 27.91 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.607 1.575 . . . . 0.0 113.813 169.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -99.87 112.24 63.44 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 118.262 1.031 . . . . 0.0 111.328 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.66 -7.44 17.64 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.628 2.886 . . . . 0.0 113.717 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -88.96 -17.46 29.46 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.217 0.917 . . . . 0.0 112.69 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.22 146.25 53.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.891 1.277 . . . . 0.0 112.114 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -56.71 -37.11 70.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.737 0.815 . . . . 0.0 113.082 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.55 -33.03 64.5 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.229 0.922 . . . . 0.0 111.976 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.02 -39.6 69.06 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.195 0.598 . . . . 0.0 111.782 171.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -58.57 -43.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.877 0.871 . . . . 0.0 110.586 170.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.17 82.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.441 1.019 . . . . 0.0 112.379 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.95 68.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.19 0.996 . . . . 0.0 111.909 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -64.17 -48.64 75.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.274 0.63 . . . . 0.0 111.725 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.27 -37.61 86.15 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.78 1.232 . . . . 0.0 112.173 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.86 -40.68 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.608 -0.682 . . . . 0.0 111.253 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.83 -39.84 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 119.442 1.019 . . . . 0.0 111.232 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -60.92 -45.96 92.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.277 0.944 . . . . 0.0 112.02 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -63.45 -43.32 97.72 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.491 -0.756 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.55 -37.29 87.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.896 1.678 . . . . 0.0 112.904 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -80.64 -53.42 6.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.261 1.424 . . . . 0.0 112.911 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.5 mm -95.67 -41.89 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.288 1.035 . . . . 0.0 113.336 -169.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.8 mtt -108.26 34.87 3.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.694 1.598 . . . . 0.0 112.169 -170.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.32 -20.79 65.81 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -169.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -160.61 135.3 7.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.25 1.42 . . . . 0.0 110.958 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.66 78.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.738 0.815 . . . . 0.0 112.591 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m 70.39 8.66 6.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.189 1.796 . . . . 0.0 114.876 169.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.693 1.997 . . . . 0.0 112.134 -178.829 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.48 164.82 33.1 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.253 3.302 . . . . 0.0 111.956 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -77.85 -2.68 37.77 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 59.13 -19.56 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 130.855 3.662 . . . . 0.0 117.778 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -78.74 2.79 18.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.06 1.744 . . . . 0.0 114.207 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.37 149.04 35.06 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.799 1.24 . . . . 0.0 114.189 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -152.1 148.57 27.82 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.161 1.784 . . . . 0.0 110.265 169.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.66 -25.71 67.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -115.01 -39.53 3.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.925 1.29 . . . . 0.0 113.088 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.3 t 77.32 115.42 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 129.029 2.932 . . . . 0.0 110.863 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 tt -147.67 158.95 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 125.544 1.537 . . . . 0.0 111.192 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -109.64 113.68 26.66 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.283 0.633 . . . . 0.0 109.53 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -61.14 -24.26 66.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.538 0.735 . . . . 0.0 112.841 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -75.18 -39.79 59.97 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.849 0.75 . . . . 0.0 111.552 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.12 87.61 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.224 -0.922 . . . . 0.0 111.198 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.37 -46.44 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.184 0.994 . . . . 0.0 110.919 172.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -59.13 -47.32 85.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.177 0.991 . . . . 0.0 111.855 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.75 -55.22 24.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.944 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.41 -29.91 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 120.387 1.448 . . . . 0.0 113.285 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -55.02 -43.19 73.47 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.573 0.624 . . . . 0.0 112.02 172.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.59 -50.09 5.57 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.449 1.1 . . . . 0.0 111.472 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -62.29 -43.02 99.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.096 1.358 . . . . 0.0 111.879 -173.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -92.44 -10.62 37.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.631 1.172 . . . . 0.0 114.085 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 66.51 77.29 0.28 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.885 2.074 . . . . 0.0 111.923 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 t -149.23 -148.61 0.27 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.403 1.481 . . . . 0.0 111.104 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -133.4 148.07 51.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.013 1.725 . . . . 0.0 110.57 175.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.24 -39.69 83.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.354 0.662 . . . . 0.0 110.934 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -62.56 -41.3 98.83 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.524 -0.735 . . . . 0.0 112.611 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -74.88 -39.12 61.68 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.556 0.616 . . . . 0.0 111.371 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 t -56.43 -51.48 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.863 0.865 . . . . 0.0 110.981 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 97.8 mtp -66.48 -34.66 78.43 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.409 0.683 . . . . 0.0 111.931 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -59.38 -47.83 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.643 1.11 . . . . 0.0 111.657 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.5 m -64.83 -16.27 62.89 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 120.212 1.369 . . . . 0.0 114.266 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.09 -15.84 20.8 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.732 1.213 . . . . 0.0 113.095 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -110.66 -50.2 2.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.225 1.41 . . . . 0.0 112.401 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.4 m -89.61 -32.77 16.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.59 1.556 . . . . 0.0 112.124 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -95.5 -157.78 32.27 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.219 1.39 . . . . 0.0 112.837 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.13 168.29 11.69 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 125.579 1.552 . . . . 0.0 111.797 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -59.85 20.93 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 1.009 1 C-N-CA 126.533 4.822 . . . . 0.0 118.44 -177.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -109.84 -16.43 13.88 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.588 1.555 . . . . 0.0 111.814 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.82 140.17 53.25 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.928 0.891 . . . . 0.0 110.877 169.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -49.85 -38.18 34.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.803 1.241 . . . . 0.0 114.108 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 mt -74.88 -37.08 62.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.263 0.938 . . . . 0.0 111.854 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.37 -36.94 68.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.72 0.808 . . . . 0.0 111.85 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.15 -50.66 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.73 1.212 . . . . 0.0 110.205 170.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.6 -46.05 84.53 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.981 0.81 . . . . 0.0 111.969 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -56.01 -47.47 77.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.513 1.125 . . . . 0.0 112.263 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -62.86 -45.16 93.88 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.273 -0.892 . . . . 0.0 112.634 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.0 -38.16 87.57 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.172 1.389 . . . . 0.0 111.972 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mt -71.01 -35.14 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.051 0.94 . . . . 0.0 111.547 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 mt -64.56 -42.21 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.544 1.065 . . . . 0.0 111.273 169.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.67 -41.95 91.8 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.366 0.984 . . . . 0.0 111.966 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.61 -56.07 23.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.274 0.63 . . . . 0.0 111.18 172.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -54.46 -33.67 60.05 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.908 2.083 . . . . 0.0 113.776 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -82.21 -56.78 3.71 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 112.367 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mt -94.97 -59.34 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.858 0.863 . . . . 0.0 111.69 -170.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.3 mmt -65.91 -31.58 72.59 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.299 0.5 . . . . 0.0 112.132 -170.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -56.59 -30.59 63.37 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.136 1.774 . . . . 0.0 113.477 170.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -98.21 -35.75 10.26 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.351 1.06 . . . . 0.0 112.08 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.75 -32.65 62.15 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.2 t -89.69 156.44 18.55 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.362 1.065 . . . . 0.0 112.93 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.568 1.947 . . . . 0.0 112.428 -177.771 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.033 0 CA-C-O 119.323 -0.709 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.53 134.98 64.64 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 124.308 3.339 . . . . 0.0 112.536 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.45 -8.21 59.41 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.0 tpp -157.4 147.98 21.15 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.409 1.884 . . . . 0.0 110.634 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -176.92 153.5 1.03 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.593 2.757 . . . . 0.0 109.443 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -155.21 150.59 27.17 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.22 1.008 . . . . 0.0 113.04 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -92.78 155.77 17.45 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.157 1.383 . . . . 0.0 111.371 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.83 -28.79 16.88 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.637 1.175 . . . . 0.0 113.824 176.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -67.39 -16.92 64.51 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 174.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.2 t -77.53 123.55 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 171.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.18 159.95 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.604 0.761 . . . . 0.0 112.638 -169.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -126.21 127.49 45.75 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.983 1.313 . . . . 0.0 109.439 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.93 -32.49 67.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.935 0.894 . . . . 0.0 112.473 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.68 -41.28 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.131 0.572 . . . . 0.0 111.519 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.2 -47.9 77.97 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.519 175.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.25 -41.21 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.14 0.882 . . . . 0.0 111.136 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.32 -44.26 96.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.126 0.875 . . . . 0.0 111.661 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -64.67 -43.31 93.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.531 0.732 . . . . 0.0 111.696 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.12 -43.18 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.027 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.0 t -58.66 -44.0 90.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.427 0.691 . . . . 0.0 111.755 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.41 -53.89 20.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.372 1.069 . . . . 0.0 112.211 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -65.32 -45.18 85.32 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.927 1.291 . . . . 0.0 113.151 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -97.89 -7.88 29.35 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.882 1.273 . . . . 0.0 114.031 -171.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 65.56 26.24 11.68 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.999 1.719 . . . . 0.0 113.809 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.19 154.08 31.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.432 1.893 . . . . 0.0 110.526 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.9 p -69.38 153.14 44.04 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.039 0.836 . . . . 0.0 112.009 -174.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -53.77 -41.3 67.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.15 0.98 . . . . 0.0 110.754 171.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 p -63.3 -34.55 77.94 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.035 0.934 . . . . 0.0 113.346 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -78.35 -39.5 39.21 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.094 0.861 . . . . 0.0 110.74 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.04 -42.57 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.708 0.803 . . . . 0.0 111.308 174.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.73 -37.74 88.63 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.669 172.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -54.31 -56.17 21.12 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 120.122 1.328 . . . . 0.0 113.079 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -60.83 -28.18 68.62 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.95 -1.094 . . . . 0.0 112.993 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.67 -25.06 31.04 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.05 1.34 . . . . 0.0 112.167 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -78.35 -39.64 38.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.938 1.295 . . . . 0.0 110.914 170.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 t -63.52 -36.27 83.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.708 0.803 . . . . 0.0 110.935 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.38 25.04 17.1 Favored Glycine 0 N--CA 1.469 0.897 0 C-N-CA 125.11 1.338 . . . . 0.0 114.05 169.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -98.81 111.18 59.89 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.182 0.993 . . . . 0.0 111.267 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.18 -6.41 17.22 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.455 2.77 . . . . 0.0 113.585 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -90.16 -15.93 30.53 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.167 0.894 . . . . 0.0 112.227 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.27 144.85 49.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.73 1.212 . . . . 0.0 112.119 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.06 -36.1 38.13 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.59 -30.07 41.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.105 0.866 . . . . 0.0 111.915 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.33 -38.82 65.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.408 0.683 . . . . 0.0 111.683 169.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.1 -46.76 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.164 0.986 . . . . 0.0 110.082 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -49.47 75.74 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.132 0.878 . . . . 0.0 112.093 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -47.84 63.12 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.742 1.217 . . . . 0.0 112.624 172.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -63.49 -49.99 71.43 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.459 -0.776 . . . . 0.0 112.291 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.26 -34.18 77.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.305 1.442 . . . . 0.0 112.557 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.1 mt -82.69 -33.53 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.144 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.73 -40.16 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.003 1.274 . . . . 0.0 110.237 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.39 -48.28 79.48 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.926 0.89 . . . . 0.0 111.754 170.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -59.17 -48.59 81.06 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.281 -0.887 . . . . 0.0 111.722 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.97 -43.1 99.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.961 1.704 . . . . 0.0 113.983 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 tpt85 -99.82 -35.1 9.89 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.155 0.982 . . . . 0.0 113.632 -170.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.4 -21.06 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.07 1.348 . . . . 0.0 111.796 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 61.14 26.63 16.51 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.138 1.375 . . . . 0.0 110.891 -172.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 66.7 -30.0 0.14 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 129.339 3.056 . . . . 0.0 114.801 -173.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -162.01 142.58 10.41 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.553 1.941 . . . . 0.0 110.086 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.85 -15.99 58.63 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -174.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -164.3 176.61 8.98 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.715 2.006 . . . . 0.0 110.198 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.577 1.551 . . . . 0.0 114.728 -179.86 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.867 0 CA-C-O 119.309 -0.717 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -59.23 156.54 34.54 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.778 3.652 . . . . 0.0 113.745 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -79.03 148.0 32.65 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.715 0.806 . . . . 0.0 112.507 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt -80.92 159.05 25.06 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.977 0.911 . . . . 0.0 112.102 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -78.27 27.7 0.19 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.387 1.475 . . . . 0.0 113.963 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -55.71 -35.31 65.96 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.529 -1.357 . . . . 0.0 112.587 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -60.85 -25.48 66.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.322 1.449 . . . . 0.0 113.992 176.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.67 -34.29 16.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.565 1.146 . . . . 0.0 112.115 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -81.04 -30.55 34.8 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.81 139.95 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.619 1.168 . . . . 0.0 112.335 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 tt -145.6 151.2 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.745 1.618 . . . . 0.0 110.872 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -92.76 102.53 14.93 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.547 0.739 . . . . 0.0 109.971 171.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.71 -30.97 71.99 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.875 0.87 . . . . 0.0 112.816 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.58 -42.31 87.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.4 0.68 . . . . 0.0 111.185 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.87 -50.83 67.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.988 0.515 . . . . 0.0 110.69 175.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -51.26 -52.19 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.955 1.302 . . . . 0.0 111.033 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.3 -43.74 88.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.22 1.008 . . . . 0.0 112.497 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -64.94 -38.3 90.5 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.585 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.17 -32.39 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 120.849 1.659 . . . . 0.0 112.024 175.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.21 -28.56 69.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -93.12 -50.67 5.4 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.589 1.156 . . . . 0.0 111.67 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -70.41 -48.13 57.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.998 1.319 . . . . 0.0 112.454 -173.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -96.09 -13.36 23.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 67.04 19.76 10.48 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.001 1.721 . . . . 0.0 114.48 173.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.76 144.83 37.63 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.312 1.845 . . . . 0.0 108.693 169.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -67.49 147.43 52.83 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.041 0.837 . . . . 0.0 112.924 -168.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -36.06 62.59 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.871 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 m -64.81 -38.16 90.06 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.813 1.645 . . . . 0.0 113.126 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.85 -39.49 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.701 0.682 . . . . 0.0 110.941 172.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.197 0.999 . . . . 0.0 111.425 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.1 mtm -63.62 -35.8 81.73 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.483 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.44 -53.1 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.469 1.486 . . . . 0.0 112.56 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 -30.48 70.69 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.776 -1.203 . . . . 0.0 112.855 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -82.52 -22.01 35.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 0.0 111.919 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -84.24 -33.65 24.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.184 1.394 . . . . 0.0 110.945 170.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 m -68.23 -32.63 72.97 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.712 1.205 . . . . 0.0 111.44 169.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.59 24.2 18.98 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 125.279 1.418 . . . . 0.0 114.276 169.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -103.47 110.13 63.2 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 118.355 1.077 . . . . 0.0 111.399 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.02 -6.92 16.15 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.549 2.833 . . . . 0.0 113.607 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -88.99 -15.62 33.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.937 0.895 . . . . 0.0 112.23 -173.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.58 143.21 57.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.072 1.349 . . . . 0.0 112.096 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -54.0 -35.65 62.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.264 1.025 . . . . 0.0 113.239 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.3 mt -80.69 -30.77 36.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.439 1.018 . . . . 0.0 112.512 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.43 77.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.096 0.558 . . . . 0.0 111.214 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.43 -48.76 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.747 1.219 . . . . 0.0 110.471 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.7 68.24 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.682 1.128 . . . . 0.0 111.944 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.25 -47.31 75.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.477 1.111 . . . . 0.0 112.795 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.49 -48.62 80.27 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.127 -0.983 . . . . 0.0 112.208 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.06 -40.8 86.29 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.033 1.333 . . . . 0.0 111.561 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.0 mt -69.57 -33.37 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.945 0.898 . . . . 0.0 111.766 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.64 -44.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.617 1.098 . . . . 0.0 110.701 169.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.34 -46.14 89.45 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.118 0.872 . . . . 0.0 111.422 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.343 -0.848 . . . . 0.0 112.19 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttt-85 -61.46 -38.21 86.39 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.569 1.148 . . . . 0.0 112.757 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -75.6 -48.01 24.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.465 1.106 . . . . 0.0 113.201 174.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.8 mt -86.18 -63.55 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.266 1.027 . . . . 0.0 111.599 -171.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mmm -178.91 141.53 0.19 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.759 2.424 . . . . 0.0 110.645 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -76.94 -8.92 58.24 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -169.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -159.55 154.91 25.45 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.208 1.803 . . . . 0.0 110.39 -175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.39 58.58 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -174.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 t -165.34 167.41 17.82 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.652 1.981 . . . . 0.0 110.22 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.292 1.437 . . . . 0.0 113.579 -179.101 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.988 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.679 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.99 133.57 33.95 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.691 2.927 . . . . 0.0 111.267 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -87.84 -18.15 29.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.62 146.43 29.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.212 1.405 . . . . 0.0 112.601 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -113.25 9.39 18.36 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.789 1.236 . . . . 0.0 113.252 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -153.62 153.96 33.32 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.254 1.421 . . . . 0.0 112.659 -173.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -150.2 139.49 21.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.454 1.901 . . . . 0.0 110.272 170.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.51 -21.77 26.76 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -81.19 -35.44 31.36 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.89 140.24 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 118.98 0.809 . . . . 0.0 111.011 170.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 tt -147.06 177.12 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 125.172 1.389 . . . . 0.0 111.472 -170.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -120.84 114.23 21.3 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -60.63 -29.24 69.13 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.892 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -74.37 -37.04 63.58 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.485 0.584 . . . . 0.0 112.229 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.18 84.29 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.501 -0.749 . . . . 0.0 110.776 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.36 -44.02 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.426 1.012 . . . . 0.0 111.59 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -63.15 -40.4 97.47 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.085 0.954 . . . . 0.0 112.392 173.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.09 -40.49 78.39 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.149 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.4 t -58.04 -40.98 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.354 1.433 . . . . 0.0 110.875 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.04 -34.13 67.91 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.17 -55.6 3.85 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.237 1.015 . . . . 0.0 112.218 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -61.75 -45.21 94.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.72 1.608 . . . . 0.0 112.275 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -97.83 -10.05 25.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.369 1.468 . . . . 0.0 114.181 -172.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 67.1 26.0 8.98 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.182 1.793 . . . . 0.0 114.1 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.8 p -102.69 177.17 4.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.051 1.74 . . . . 0.0 111.662 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.0 p -81.89 159.05 23.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.567 0.747 . . . . 0.0 110.091 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.98 -43.97 97.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.107 0.563 . . . . 0.0 111.083 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -63.06 -26.75 68.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.199 -0.938 . . . . 0.0 113.226 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.68 -33.64 76.09 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.075 0.852 . . . . 0.0 111.827 171.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 t -68.21 -45.16 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.594 -0.691 . . . . 0.0 110.129 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.4 -44.44 97.14 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.74 0.816 . . . . 0.0 112.244 173.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -51.08 -58.27 6.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.025 0.93 . . . . 0.0 112.246 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -67.72 -16.28 64.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.07 -29.0 22.22 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.847 0.859 . . . . 0.0 112.264 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -103.91 -39.03 6.76 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.4 p -130.08 -16.42 3.62 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.972 1.309 . . . . 0.0 114.267 -173.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.77 -131.63 3.58 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.184 0.897 . . . . 0.0 111.144 169.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -142.44 140.57 19.08 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.701 1.2 . . . . 0.0 111.065 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.17 -14.39 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.363 3.375 . . . . 0.0 116.955 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -85.65 -8.28 58.32 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.526 1.13 . . . . 0.0 112.876 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.15 150.8 47.9 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.968 1.307 . . . . 0.0 112.636 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.95 -40.5 57.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.075 1.35 . . . . 0.0 113.668 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.8 -35.62 72.62 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.155 0.889 . . . . 0.0 112.292 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.22 -36.99 58.31 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.524 0.729 . . . . 0.0 112.14 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.02 -41.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.238 1.015 . . . . 0.0 110.88 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.81 71.8 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.998 0.919 . . . . 0.0 111.805 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.33 -48.57 71.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.164 0.586 . . . . 0.0 112.091 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -60.57 -48.04 83.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.139 0.881 . . . . 0.0 111.99 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.14 -34.3 77.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.357 1.063 . . . . 0.0 112.613 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.7 mt -77.35 -35.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.212 1.005 . . . . 0.0 111.773 177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.38 -46.17 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.497 -0.752 . . . . 0.0 109.58 169.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.35 -44.34 96.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.433 0.693 . . . . 0.0 111.962 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.12 -55.5 30.44 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.956 0.798 . . . . 0.0 110.71 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtp-105 -61.06 -53.2 60.1 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.523 1.129 . . . . 0.0 113.316 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -86.0 -35.18 20.55 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -169.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.7 mm -105.94 -32.02 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.219 1.008 . . . . 0.0 113.017 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.3 ttt 113.41 -39.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 131.332 3.853 . . . . 0.0 109.921 -172.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -168.39 163.97 12.78 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.513 2.325 . . . . 0.0 110.553 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -68.85 -27.76 66.11 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.5 -0.75 . . . . 0.0 112.998 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.79 165.75 27.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.96 1.304 . . . . 0.0 112.586 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.4 p -81.47 161.14 23.78 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.552 1.141 . . . . 0.0 113.14 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.256 1.436 0 C-N-CA 124.936 1.295 . . . . 0.0 113.236 176.79 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.536 0.409 0 CA-C-O 121.499 0.666 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.0 -30.5 71.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.393 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -43.14 87.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.129 0.972 . . . . 0.0 111.179 170.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.48 81.81 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.627 -0.67 . . . . 0.0 111.229 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.18 -47.82 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-N 118.606 0.639 . . . . 0.0 110.711 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.1 -44.16 95.05 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.716 0.807 . . . . 0.0 112.399 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.73 -40.9 97.89 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.531 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.78 -44.02 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.0 1.273 . . . . 0.0 110.564 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.86 -43.33 81.08 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.005 0.821 . . . . 0.0 112.991 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.43 -35.12 25.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -79.36 -42.85 24.69 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.295 0.952 . . . . 0.0 112.257 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -83.06 -22.99 33.35 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.563 1.545 . . . . 0.0 112.994 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.66 71.6 0.17 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.033 2.133 . . . . 0.0 111.039 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.9 p -157.86 179.67 8.98 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.736 . . . . 0.0 112.227 -172.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.1 p -102.76 155.07 18.57 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.516 1.526 . . . . 0.0 111.757 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -56.12 -42.76 77.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.418 0.687 . . . . 0.0 111.002 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -59.29 -33.65 71.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.857 0.863 . . . . 0.0 112.916 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.74 -42.64 67.02 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.591 0.632 . . . . 0.0 110.717 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.76 -48.45 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.088 0.555 . . . . 0.0 110.675 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 88.8 mtp -64.65 -37.58 88.05 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.239 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -53.41 -54.91 30.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.858 1.208 . . . . 0.0 112.212 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.1 m -67.94 -16.86 64.26 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.27 -22.71 21.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.606 1.162 . . . . 0.0 112.449 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.4 t80 . . . . . 0 N--CA 1.474 0.764 0 C-N-CA 124.709 1.204 . . . . 0.0 113.747 -171.354 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.01 147.2 51.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.155 0.982 . . . . 0.0 111.851 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -55.67 -34.83 65.35 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.31 -34.94 73.31 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.785 1.175 . . . . 0.0 112.36 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.01 -36.23 41.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.511 0.724 . . . . 0.0 112.139 174.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.95 -43.28 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.079 0.951 . . . . 0.0 110.094 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.89 77.79 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.261 0.937 . . . . 0.0 111.799 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.23 -45.43 79.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.869 0.868 . . . . 0.0 112.584 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -62.09 -49.91 74.04 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.253 -0.904 . . . . 0.0 112.457 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.43 -34.09 77.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.631 1.172 . . . . 0.0 112.343 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.73 -32.11 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.896 0.878 . . . . 0.0 111.397 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.92 -35.92 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.556 1.071 . . . . 0.0 111.195 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.92 -44.94 91.4 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.737 -1.227 . . . . 0.0 111.809 169.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.77 -56.01 27.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.086 0.954 . . . . 0.0 111.162 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -54.45 -35.64 63.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.776 2.431 . . . . 0.0 113.965 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 124.102 0.961 . . . . 0.0 112.776 175.508 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 121.04 0.448 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.06 -32.02 65.8 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.203 1.001 . . . . 0.0 112.888 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.51 -42.43 61.81 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.927 0.891 . . . . 0.0 111.719 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.37 -47.85 84.28 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.748 -0.595 . . . . 0.0 110.439 171.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.3 -38.51 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.572 0.624 . . . . 0.0 111.462 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.38 89.21 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.356 0.663 . . . . 0.0 111.669 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.34 -47.18 74.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.544 0.738 . . . . 0.0 111.758 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 15' ' ' ALA . 59.1 t -58.76 -42.64 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.461 1.028 . . . . 0.0 111.844 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -54.09 -44.87 71.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.864 0.865 . . . . 0.0 112.036 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.86 -53.0 7.99 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.248 1.019 . . . . 0.0 112.279 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -58.8 -46.97 86.36 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.601 1.16 . . . . 0.0 112.763 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -5.62 45.17 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.662 1.185 . . . . 0.0 113.964 -171.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 64.84 29.49 12.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.203 1.801 . . . . 0.0 113.198 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -151.72 0.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 127.097 2.159 . . . . 0.0 111.264 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.3 p -133.01 148.38 52.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.566 1.546 . . . . 0.0 111.143 174.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.22 -46.13 79.64 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.837 0.855 . . . . 0.0 111.167 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -62.2 -34.15 75.9 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.473 0.709 . . . . 0.0 112.628 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.37 -36.99 60.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.314 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.67 -43.24 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 118.5 0.591 . . . . 0.0 110.508 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 99.2 mtp -64.94 -39.42 93.47 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.874 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.12 -51.5 66.24 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.118 1.326 . . . . 0.0 113.54 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -63.54 -23.78 67.53 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.136 -0.977 . . . . 0.0 113.239 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -94.12 -16.54 23.66 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.766 1.626 . . . . 0.0 111.767 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.557 1.543 . . . . 0.0 110.414 169.268 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.6 145.37 54.0 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.13 -35.04 69.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.674 0.789 . . . . 0.0 112.97 -176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.7 mt -78.1 -31.21 49.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.596 1.089 . . . . 0.0 112.536 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.2 76.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.547 0.739 . . . . 0.0 111.494 169.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.78 -46.08 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 110.861 171.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.01 69.11 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.964 0.906 . . . . 0.0 111.714 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.97 -47.4 68.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.707 1.203 . . . . 0.0 112.893 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -61.83 -52.26 64.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.941 0.791 . . . . 0.0 112.0 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.43 -37.36 83.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.938 1.295 . . . . 0.0 112.441 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.53 -32.42 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.722 0.809 . . . . 0.0 111.228 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.26 -39.46 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.738 1.154 . . . . 0.0 110.812 169.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.48 -44.22 93.1 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.529 1.059 . . . . 0.0 111.375 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.87 -50.08 74.86 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.381 -0.824 . . . . 0.0 111.977 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -57.93 -39.47 78.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.507 1.523 . . . . 0.0 113.04 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 124.708 1.203 . . . . 0.0 113.671 -179.44 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 N--CA 1.47 0.569 0 CA-C-O 121.302 0.573 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -57.29 -31.3 65.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.62 1.168 . . . . 0.0 112.76 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -70.81 -46.23 63.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.837 0.744 . . . . 0.0 111.275 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.45 82.9 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.891 -0.506 . . . . 0.0 110.984 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 t -53.95 -49.0 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.068 0.849 . . . . 0.0 111.425 173.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -59.92 -40.14 87.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.156 0.982 . . . . 0.0 112.454 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -65.97 -37.73 86.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.432 1.015 . . . . 0.0 112.176 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.5 t -60.46 -43.21 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.101 1.319 . . . . 0.0 110.727 170.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.12 -39.95 83.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.318 0.508 . . . . 0.0 112.081 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.75 -55.14 8.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.623 1.169 . . . . 0.0 112.8 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.64 -46.52 53.59 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.354 -0.841 . . . . 0.0 112.789 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -88.08 -9.87 51.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.991 1.316 . . . . 0.0 114.238 -172.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 65.2 25.04 12.33 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.992 1.717 . . . . 0.0 114.139 171.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -115.6 156.19 26.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.299 1.839 . . . . 0.0 110.153 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -70.4 140.77 52.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.634 1.106 . . . . 0.0 111.833 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -36.44 74.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.001 0.92 . . . . 0.0 111.825 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -62.5 -36.06 81.36 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.181 1.392 . . . . 0.0 112.514 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -75.72 -36.87 59.85 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.543 1.065 . . . . 0.0 110.976 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -56.66 -48.86 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.945 0.498 . . . . 0.0 110.499 171.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.97 -41.67 99.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.402 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -55.36 -50.11 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.559 1.072 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.3 m -62.32 -23.84 66.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.002 1.273 . . . . 0.0 114.028 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.51 -21.89 22.7 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.695 1.198 . . . . 0.0 112.769 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 124.563 1.145 . . . . 0.0 113.729 -172.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.66 145.43 54.63 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.567 1.147 . . . . 0.0 111.724 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -53.14 -35.77 60.08 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.715 1.206 . . . . 0.0 113.074 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.4 mt -76.41 -31.8 58.15 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.87 1.214 . . . . 0.0 112.671 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.6 62.85 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.312 0.645 . . . . 0.0 111.85 172.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.77 -43.98 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.259 1.024 . . . . 0.0 110.588 169.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.04 78.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.926 0.785 . . . . 0.0 111.586 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.45 -46.45 83.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.224 0.92 . . . . 0.0 112.894 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -57.85 -47.92 81.3 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.132 0.878 . . . . 0.0 112.219 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.24 -37.13 86.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.512 1.125 . . . . 0.0 112.156 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -76.91 -32.37 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.052 0.941 . . . . 0.0 112.303 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -61.59 -41.95 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.297 0.953 . . . . 0.0 109.064 168.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -66.22 -40.23 90.16 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.741 0.701 . . . . 0.0 112.666 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.4 -55.42 35.08 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.229 -0.919 . . . . 0.0 110.381 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -56.52 -35.83 68.51 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.882 2.073 . . . . 0.0 113.85 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 . . . . . 0 N--CA 1.472 0.665 0 C-N-CA 124.733 1.213 . . . . 0.0 113.746 179.117 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.538 0.485 0 CA-C-O 121.689 0.757 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.8 -37.19 75.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.149 1.38 . . . . 0.0 112.958 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -67.3 -41.09 85.96 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.09 0.556 . . . . 0.0 111.675 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.97 79.57 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.381 -0.825 . . . . 0.0 110.897 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -60.44 -32.51 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.304 1.842 . . . . 0.0 112.771 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -86.13 -37.64 18.57 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.316 0.962 . . . . 0.0 112.998 173.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.24 -39.6 68.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.018 0.826 . . . . 0.0 112.696 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -51.28 -34.2 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.892 1.277 . . . . 0.0 113.868 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.06 -40.27 88.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.741 0.816 . . . . 0.0 112.085 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -83.12 -52.82 6.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.127 0.971 . . . . 0.0 111.18 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.67 98.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.42 1.488 . . . . 0.0 112.34 -172.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -102.08 -4.84 25.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.198 1.399 . . . . 0.0 113.799 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 65.66 26.63 11.47 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.089 1.756 . . . . 0.0 113.646 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.93 -157.24 0.6 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.605 1.962 . . . . 0.0 111.986 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.19 144.94 49.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.267 1.027 . . . . 0.0 111.656 172.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -50.98 -48.05 61.29 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.094 1.358 . . . . 0.0 110.638 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.17 -39.84 83.74 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -79.3 -31.13 43.19 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.96 0.8 . . . . 0.0 112.046 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.57 -51.28 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.466 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.23 -45.61 93.83 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.936 0.494 . . . . 0.0 111.131 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -55.76 -45.68 78.05 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.398 -0.814 . . . . 0.0 111.903 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -62.95 -27.44 69.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.915 -1.116 . . . . 0.0 113.284 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -84.23 -21.74 31.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.142 0.977 . . . . 0.0 112.492 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 124.238 1.015 . . . . 0.0 113.653 -173.903 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.94 149.55 44.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.685 1.194 . . . . 0.0 111.724 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -50.6 -36.07 33.25 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.339 1.056 . . . . 0.0 113.191 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -72.38 -40.02 67.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.223 0.92 . . . . 0.0 112.015 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.62 74.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.488 0.715 . . . . 0.0 111.886 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.0 t -64.51 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.305 1.042 . . . . 0.0 111.176 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.53 73.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.775 1.17 . . . . 0.0 111.925 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -53.43 -47.67 69.44 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.159 0.984 . . . . 0.0 112.262 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.48 -44.81 95.5 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.171 -0.956 . . . . 0.0 112.939 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.99 -34.91 79.57 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.461 1.104 . . . . 0.0 112.203 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.51 -37.0 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.821 0.848 . . . . 0.0 111.359 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.87 -45.04 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.285 0.948 . . . . 0.0 110.536 169.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.01 -39.96 95.28 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.366 0.985 . . . . 0.0 112.641 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.5 -49.77 75.41 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.85 0.86 . . . . 0.0 111.05 172.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.65 -36.94 74.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.541 1.537 . . . . 0.0 113.176 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 126.221 1.808 . . . . 0.0 113.165 179.314 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 120.97 0.414 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.85 -38.74 76.21 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.912 174.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.22 -38.52 89.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.942 0.792 . . . . 0.0 111.349 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 -53.83 42.5 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.807 -0.558 . . . . 0.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.94 -39.85 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.523 -0.736 . . . . 0.0 111.903 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -62.28 -45.77 91.8 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.076 0.95 . . . . 0.0 112.151 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -62.81 -39.52 94.52 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 118.131 -0.937 . . . . 0.0 112.418 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.18 -48.82 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.281 1.401 . . . . 0.0 110.483 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.82 -48.38 67.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.766 0.826 . . . . 0.0 111.896 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -70.09 -56.78 6.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.628 1.171 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.45 -42.15 65.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.777 1.231 . . . . 0.0 112.794 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -84.96 -15.2 45.12 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.377 1.071 . . . . 0.0 112.776 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 66.43 55.92 0.8 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.175 1.79 . . . . 0.0 112.254 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.6 m -145.05 170.82 15.44 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.553 1.941 . . . . 0.0 111.207 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -75.48 146.59 40.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.63 0.772 . . . . 0.0 111.764 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.17 -42.17 94.41 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.511 0.725 . . . . 0.0 110.691 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 p -55.81 -34.61 65.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.393 1.077 . . . . 0.0 113.115 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.02 -23.85 44.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.08 0.855 . . . . 0.0 112.543 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.0 -46.84 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.79 0.723 . . . . 0.0 109.175 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.0 mmm -62.25 -48.24 80.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -57.45 -45.31 84.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.742 0.701 . . . . 0.0 111.586 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 m -61.18 -22.2 64.51 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.33 -18.91 18.86 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.809 1.244 . . . . 0.0 112.886 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 124.482 1.113 . . . . 0.0 112.921 177.589 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.27 141.98 57.83 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 110.647 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -35.5 45.59 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.61 -32.2 41.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.204 0.911 . . . . 0.0 113.063 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.23 71.8 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.655 0.661 . . . . 0.0 111.389 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.29 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 110.223 169.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.06 82.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.753 1.161 . . . . 0.0 112.308 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.44 -45.13 72.99 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.6 -0.687 . . . . 0.0 112.141 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -59.64 -46.91 87.58 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.078 0.854 . . . . 0.0 112.513 173.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.55 -38.87 92.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.214 0.915 . . . . 0.0 112.777 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.85 -41.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 119.292 0.951 . . . . 0.0 111.728 173.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.61 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.586 0.754 . . . . 0.0 110.499 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.536 1.134 . . . . 0.0 112.289 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.1 -55.98 28.02 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.673 0.789 . . . . 0.0 110.901 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -59.02 -44.74 91.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.988 0.915 . . . . 0.0 112.664 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 . . . . . 0 N--CA 1.471 0.601 0 C-N-CA 124.35 1.06 . . . . 0.0 113.744 -177.121 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 121.729 0.776 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.09 -37.9 84.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.555 1.142 . . . . 0.0 112.264 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.8 -43.86 97.68 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.635 0.774 . . . . 0.0 111.198 173.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.68 72.75 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.698 -0.626 . . . . 0.0 110.89 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.77 -42.18 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.826 0.739 . . . . 0.0 111.51 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.69 -45.44 93.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.63 0.772 . . . . 0.0 111.859 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.78 -39.59 94.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.118 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.72 -43.25 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.838 1.653 . . . . 0.0 111.409 173.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -56.4 -45.26 80.7 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.457 0.703 . . . . 0.0 111.245 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.77 -54.07 18.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.268 1.027 . . . . 0.0 112.464 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -66.94 -48.97 66.97 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.635 1.574 . . . . 0.0 112.86 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -93.79 -10.67 33.37 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 114.353 -169.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 69.97 24.85 5.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.37 1.868 . . . . 0.0 114.135 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -103.47 -178.2 3.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.98 1.312 . . . . 0.0 110.903 170.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -92.57 150.72 20.56 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.369 -0.832 . . . . 0.0 111.236 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -56.51 -39.23 72.95 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.088 0.555 . . . . 0.0 110.913 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 p -65.26 -37.92 88.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.769 0.828 . . . . 0.0 113.143 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -75.67 -36.29 60.16 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.287 0.949 . . . . 0.0 111.26 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.99 -46.73 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.892 0.477 . . . . 0.0 110.799 171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.8 mtt -61.14 -37.19 81.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.117 -0.944 . . . . 0.0 112.518 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -54.26 -54.62 37.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.341 1.428 . . . . 0.0 112.729 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -65.1 -23.42 67.15 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.204 -0.935 . . . . 0.0 113.342 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.12 -22.32 27.15 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.067 1.347 . . . . 0.0 111.576 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.9 t80 . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 125.582 1.553 . . . . 0.0 111.261 173.169 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.67 142.09 53.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.835 1.254 . . . . 0.0 111.842 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.03 -34.48 65.89 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -75.25 -33.7 61.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.633 1.106 . . . . 0.0 111.881 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.7 66.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.311 0.645 . . . . 0.0 111.91 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.39 -49.47 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.029 0.932 . . . . 0.0 109.828 170.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.05 74.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.693 0.797 . . . . 0.0 111.783 174.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -57.61 -48.44 79.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.852 0.751 . . . . 0.0 113.002 173.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -60.94 -44.38 97.34 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.671 1.123 . . . . 0.0 112.515 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.39 -40.64 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.749 1.22 . . . . 0.0 112.061 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -77.41 -31.97 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.072 0.949 . . . . 0.0 111.976 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.623 1.101 . . . . 0.0 109.563 169.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.99 -42.4 99.1 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.607 0.64 . . . . 0.0 111.993 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.68 -56.98 15.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.955 0.502 . . . . 0.0 110.76 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -52.05 -38.84 58.43 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.109 1.763 . . . . 0.0 113.173 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.037 1.335 . . . . 0.0 113.393 -178.682 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.536 0.409 0 CA-C-O 121.541 0.686 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.16 -35.58 75.65 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.127 0.971 . . . . 0.0 112.639 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.85 -39.73 87.69 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.107 0.963 . . . . 0.0 111.625 174.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.1 76.98 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.443 -0.785 . . . . 0.0 111.546 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.53 -42.64 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.387 1.075 . . . . 0.0 111.139 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.13 -47.36 83.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.847 0.859 . . . . 0.0 111.58 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.39 -47.88 71.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 117.906 -1.045 . . . . 0.0 113.296 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.9 -31.64 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 120.693 1.588 . . . . 0.0 113.051 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.31 -37.05 69.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.291 1.036 . . . . 0.0 112.059 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -91.72 -52.39 4.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.021 1.328 . . . . 0.0 111.063 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -53.45 -46.78 69.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.622 1.569 . . . . 0.0 112.352 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -101.85 -4.64 25.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.025 1.33 . . . . 0.0 114.152 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 63.41 30.42 15.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.755 1.622 . . . . 0.0 113.369 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.72 -148.87 0.39 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.385 1.874 . . . . 0.0 111.727 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -131.07 148.06 52.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.605 1.162 . . . . 0.0 110.959 170.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -55.65 -42.24 74.76 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.787 0.835 . . . . 0.0 110.168 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -60.07 -42.14 93.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.392 1.077 . . . . 0.0 112.75 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -80.01 -30.12 39.54 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.139 0.881 . . . . 0.0 112.191 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.91 -49.74 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.928 -0.483 . . . . 0.0 110.088 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtm -62.17 -40.88 97.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.764 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -52.21 -56.45 14.57 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.122 0.874 . . . . 0.0 110.84 172.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -61.87 -21.61 64.83 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -87.47 -25.38 23.76 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.735 0.814 . . . . 0.0 113.133 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -174.795 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.1 145.84 55.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.477 1.111 . . . . 0.0 111.546 169.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -47.82 -38.64 16.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.043 1.337 . . . . 0.0 114.188 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -76.21 -37.22 58.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.39 0.995 . . . . 0.0 112.14 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.58 73.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.305 0.642 . . . . 0.0 111.402 171.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -57.55 -46.18 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.256 1.023 . . . . 0.0 110.999 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.21 75.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.502 1.046 . . . . 0.0 112.272 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.39 -47.21 76.21 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.07 0.948 . . . . 0.0 112.36 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.55 -42.65 95.56 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.101 -0.999 . . . . 0.0 113.321 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.48 -36.62 84.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.602 1.161 . . . . 0.0 111.96 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.84 -32.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.473 0.709 . . . . 0.0 111.489 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -68.9 -35.94 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.328 0.967 . . . . 0.0 111.541 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.42 -45.08 89.07 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.664 -1.272 . . . . 0.0 111.97 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.11 -54.3 48.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.119 0.967 . . . . 0.0 111.229 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -54.91 -36.33 65.09 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.386 2.275 . . . . 0.0 113.921 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 0.0 113.194 176.709 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.6 -21.81 63.07 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -84.21 -40.59 17.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.351 0.66 . . . . 0.0 112.443 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.83 83.67 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.245 -0.909 . . . . 0.0 111.172 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.78 -31.51 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.665 1.186 . . . . 0.0 111.517 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.34 -49.26 51.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.186 -0.946 . . . . 0.0 111.121 169.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.33 -45.31 76.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG11 HG11 ' A' ' 30' ' ' VAL . 8.7 p -54.76 -24.37 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.027 1.331 . . . . 0.0 113.517 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -65.42 -43.18 91.32 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 118.451 0.569 . . . . 0.0 112.14 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -91.29 -32.77 15.6 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.667 0.787 . . . . 0.0 112.831 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -71.59 -39.61 70.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.079 1.352 . . . . 0.0 112.156 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.81 -2.97 19.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.141 1.377 . . . . 0.0 114.535 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 64.71 28.22 13.06 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.69 1.596 . . . . 0.0 113.911 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.3 m -118.07 159.7 22.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.507 1.923 . . . . 0.0 110.39 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 p -76.37 152.1 36.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 120.604 -1.31 . . . . 0.0 111.584 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -56.41 -44.68 80.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.087 0.555 . . . . 0.0 110.347 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.9 p -66.15 -27.39 67.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.59 -42.64 70.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.238 0.926 . . . . 0.0 110.552 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.48 HG11 HG11 ' A' ' 19' ' ' VAL . 60.9 t -70.03 -37.56 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.841 -0.537 . . . . 0.0 111.776 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -41.8 77.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.522 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -57.39 -48.18 79.75 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.717 1.144 . . . . 0.0 112.586 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 m -69.65 -12.33 61.55 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -97.7 -16.17 20.05 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.109 1.364 . . . . 0.0 112.314 172.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 t80 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 126.707 2.003 . . . . 0.0 112.996 -178.191 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 CA--C 1.545 0.781 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.05 150.41 42.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.677 1.191 . . . . 0.0 110.912 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -48.58 -36.55 15.84 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.99 -36.74 40.84 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.994 0.815 . . . . 0.0 112.098 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.61 84.31 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.991 0.516 . . . . 0.0 111.363 171.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.53 -43.97 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.729 1.212 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.56 71.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.791 1.178 . . . . 0.0 111.874 173.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -54.13 -48.91 70.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.136 0.574 . . . . 0.0 111.779 171.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.51 -46.08 91.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.167 -0.958 . . . . 0.0 112.387 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.8 -36.1 82.05 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.581 1.152 . . . . 0.0 111.692 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.01 -37.46 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.592 0.757 . . . . 0.0 111.438 175.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.3 mm -61.69 -42.53 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.987 0.915 . . . . 0.0 110.939 169.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.85 -46.1 89.48 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.977 0.808 . . . . 0.0 111.315 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -57.32 -55.33 36.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.207 -0.933 . . . . 0.0 110.899 172.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -55.28 -51.23 67.34 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.538 1.935 . . . . 0.0 114.096 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 . . . . . 0 N--CA 1.476 0.841 0 C-N-CA 124.231 1.012 . . . . 0.0 113.602 -170.469 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.48 -30.86 68.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.721 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -68.89 -44.57 72.95 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.23 0.612 . . . . 0.0 111.184 174.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.89 -44.4 85.41 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.398 -0.814 . . . . 0.0 111.375 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -57.37 -45.0 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.164 0.893 . . . . 0.0 111.27 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.36 -46.1 86.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.145 0.978 . . . . 0.0 111.995 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.99 -47.77 76.33 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.635 -0.698 . . . . 0.0 112.099 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG22 HD12 ' A' ' 50' ' ' ILE . 87.2 t -55.02 -38.1 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.961 1.304 . . . . 0.0 111.079 176.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.1 t -59.83 -34.95 73.75 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.16 -52.36 5.1 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.805 0.842 . . . . 0.0 111.657 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.44 -39.85 94.62 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.851 1.661 . . . . 0.0 112.956 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -103.46 -3.54 25.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.257 1.423 . . . . 0.0 113.964 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 63.79 26.93 14.53 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.82 1.648 . . . . 0.0 114.097 170.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.5 m -111.64 164.75 12.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.278 1.831 . . . . 0.0 111.592 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -77.26 150.78 35.31 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.157 -0.964 . . . . 0.0 110.705 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -55.5 -44.39 76.52 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.512 0.725 . . . . 0.0 111.079 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -58.95 -29.17 66.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.701 1.2 . . . . 0.0 113.386 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.91 -34.79 66.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.184 0.902 . . . . 0.0 111.415 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.54 -39.63 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.087 0.555 . . . . 0.0 110.237 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.8 mtt -65.9 -47.18 75.66 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.67 0.788 . . . . 0.0 111.841 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -50.42 -56.05 13.15 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.526 1.13 . . . . 0.0 112.796 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 m -68.82 -14.42 63.02 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -95.44 -22.36 17.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.57 1.148 . . . . 0.0 112.545 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 113.183 -176.409 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.46 151.07 48.02 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.822 1.249 . . . . 0.0 112.488 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -52.26 -37.77 56.33 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.762 1.225 . . . . 0.0 114.019 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mt -71.64 -37.4 70.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.428 1.013 . . . . 0.0 112.242 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.95 68.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.095 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.73 -44.83 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.53 1.132 . . . . 0.0 110.711 171.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.23 -50.29 71.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.684 1.129 . . . . 0.0 111.755 172.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.02 -49.97 65.2 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.302 0.641 . . . . 0.0 112.306 172.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.27 -47.12 87.46 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.047 0.84 . . . . 0.0 112.24 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -32.57 74.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.778 1.231 . . . . 0.0 112.405 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.498 HD12 HG22 ' A' ' 19' ' ' VAL . 73.9 mt -79.84 -34.81 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.763 0.825 . . . . 0.0 111.424 177.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.26 -44.98 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.954 0.901 . . . . 0.0 109.404 169.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.35 -44.49 91.3 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.906 0.775 . . . . 0.0 111.909 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -57.19 -44.23 83.41 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.723 0.692 . . . . 0.0 110.955 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -64.42 -45.43 87.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.698 1.999 . . . . 0.0 113.148 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? . . . . . 0 N--CA 1.474 0.737 0 C-N-CA 124.937 1.295 . . . . 0.0 113.433 -172.273 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 C--O 1.238 0.489 0 CA-C-O 121.67 0.748 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.65 -31.18 66.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.02 0.928 . . . . 0.0 112.271 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.61 -40.6 63.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.85 0.75 . . . . 0.0 112.031 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -52.35 65.45 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 172.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.54 -37.46 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.58 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -57.01 -50.43 72.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.46 -51.46 69.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.594 0.634 . . . . 0.0 111.238 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.83 -42.64 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.462 1.028 . . . . 0.0 111.991 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -53.51 -51.28 63.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.955 0.902 . . . . 0.0 112.482 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.58 -29.69 16.79 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.9 -43.49 68.2 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.137 -0.977 . . . . 0.0 111.853 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -93.64 -14.85 25.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.501 1.12 . . . . 0.0 113.733 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.69 71.51 0.17 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.929 2.092 . . . . 0.0 111.583 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.8 t -145.51 -146.58 0.19 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.894 1.678 . . . . 0.0 110.974 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.4 p -134.31 149.73 50.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.249 1.82 . . . . 0.0 110.575 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.01 -43.04 73.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 111.291 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -62.67 -43.0 99.92 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.782 0.833 . . . . 0.0 112.539 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.87 -38.88 76.54 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.973 0.806 . . . . 0.0 111.403 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.01 -46.97 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 122.945 0.498 . . . . 0.0 110.945 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtt -61.33 -41.23 96.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.299 0.64 . . . . 0.0 112.133 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -56.31 -52.36 64.83 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.301 0.955 . . . . 0.0 111.796 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -63.59 -19.88 65.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.588 1.54 . . . . 0.0 114.263 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.9 -24.94 24.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.939 . . . . 0.0 112.664 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.2 t80 . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -174.341 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.9 148.97 50.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.504 1.121 . . . . 0.0 112.201 172.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -54.05 -35.0 61.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.479 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -74.24 -32.74 63.09 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.055 1.298 . . . . 0.0 112.572 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -36.76 58.31 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.342 0.657 . . . . 0.0 111.934 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.69 -44.94 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.121 0.968 . . . . 0.0 110.249 169.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.01 72.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.797 0.839 . . . . 0.0 111.522 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -52.92 -47.58 67.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.986 0.914 . . . . 0.0 113.109 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -61.44 -50.18 73.84 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.417 -0.802 . . . . 0.0 112.603 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.77 -39.44 91.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.854 1.261 . . . . 0.0 112.345 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.58 -31.83 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.954 0.902 . . . . 0.0 111.078 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.81 -41.25 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.509 1.049 . . . . 0.0 110.745 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.9 -41.23 95.67 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.336 0.971 . . . . 0.0 112.08 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.62 -56.35 20.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.5 0.72 . . . . 0.0 110.886 170.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.23 -39.2 56.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.511 1.524 . . . . 0.0 113.148 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 125.449 1.499 . . . . 0.0 113.842 -178.566 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.39 -32.93 73.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.165 0.986 . . . . 0.0 112.331 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.51 -39.63 94.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.608 0.763 . . . . 0.0 111.495 171.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.66 86.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.889 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.29 -46.38 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 119.434 1.016 . . . . 0.0 110.429 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -59.35 -43.87 92.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.647 0.779 . . . . 0.0 111.657 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -61.79 -42.26 98.77 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.179 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.77 -43.3 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.85 1.659 . . . . 0.0 111.498 173.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.66 -52.55 59.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.449 0.568 . . . . 0.0 112.452 176.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.61 -35.8 29.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -84.82 -44.21 13.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.135 0.974 . . . . 0.0 112.079 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -84.55 -12.9 53.24 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 67.54 70.97 0.35 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.365 1.866 . . . . 0.0 111.326 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -160.33 172.57 17.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.443 1.897 . . . . 0.0 110.237 -171.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.1 p -91.85 148.75 21.99 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 120.42 1.464 . . . . 0.0 112.067 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.79 -36.68 72.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.341 0.657 . . . . 0.0 111.183 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -63.59 -40.62 97.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.825 0.85 . . . . 0.0 112.532 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.34 -41.31 80.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.755 -0.591 . . . . 0.0 111.143 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.46 -48.55 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.375 0.67 . . . . 0.0 111.107 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 81.1 mmm -63.69 -35.39 80.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 117.963 -1.018 . . . . 0.0 113.411 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -51.37 -57.59 8.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.138 1.336 . . . . 0.0 112.402 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 m -63.94 -26.22 68.49 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.208 -0.933 . . . . 0.0 113.216 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -83.49 -22.37 32.53 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.261 1.424 . . . . 0.0 111.659 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.3 t80 . . . . . 0 CA--C 1.54 0.594 0 C-N-CA 125.419 1.488 . . . . 0.0 110.952 172.406 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -68.32 143.36 55.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.715 1.206 . . . . 0.0 112.019 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.48 -33.51 68.07 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.77 -27.85 40.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.945 1.248 . . . . 0.0 112.554 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.76 -37.58 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.905 0.775 . . . . 0.0 111.564 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.81 -49.97 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.546 1.139 . . . . 0.0 109.671 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.79 -47.84 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 171.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -58.37 -44.82 89.02 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.83 0.852 . . . . 0.0 113.164 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -61.85 -52.35 64.51 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.4 -0.813 . . . . 0.0 111.369 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.81 -33.89 72.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.253 1.421 . . . . 0.0 111.985 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.2 mt -78.39 -31.16 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.38 1.072 . . . . 0.0 112.238 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.0 -39.97 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.075 1.307 . . . . 0.0 109.689 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.45 -44.77 92.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.613 0.642 . . . . 0.0 111.127 171.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -57.01 -57.24 13.43 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.756 1.162 . . . . 0.0 111.452 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -53.7 -38.42 64.23 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.231 2.212 . . . . 0.0 114.541 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.898 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' N ' ' HH ' ' A' ' 47' ' ' TYR . 6.3 t70 . . . . . 0 C--O 1.241 0.624 0 CA-C-O 121.245 0.545 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.68 -34.41 75.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.692 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -71.26 -37.41 71.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.113 0.869 . . . . 0.0 112.911 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.45 -49.21 69.98 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.012 0.823 . . . . 0.0 111.179 171.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.26 -44.85 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.68 0.673 . . . . 0.0 111.551 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -61.12 -42.86 99.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.297 1.039 . . . . 0.0 112.777 172.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.07 -53.75 53.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.376 173.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG22 HD12 ' A' ' 50' ' ' ILE . 84.2 t -52.15 -37.46 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 CA-C-N 119.663 1.119 . . . . 0.0 111.913 -174.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -51.39 -51.67 52.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.957 0.903 . . . . 0.0 112.876 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.48 -33.58 13.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.76 -41.24 62.73 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.924 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -99.2 -14.32 19.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.805 1.242 . . . . 0.0 114.002 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 70.81 74.63 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.654 1.982 . . . . 0.0 111.042 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -155.55 -177.95 6.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.931 1.692 . . . . 0.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -93.01 141.6 28.22 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.92 91.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.388 0.614 . . . . 0.0 112.516 -169.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.0 m -61.72 -28.64 69.56 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.73 1.212 . . . . 0.0 112.829 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -71.36 -30.45 66.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.399 -0.813 . . . . 0.0 112.047 173.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -66.32 -46.73 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.914 0.886 . . . . 0.0 109.516 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -59.55 -45.85 90.59 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.6 0.76 . . . . 0.0 110.84 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -55.04 -51.82 65.1 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.63 0.772 . . . . 0.0 112.339 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.7 p -69.23 -15.52 63.39 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.93 -23.79 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.289 1.035 . . . . 0.0 112.116 172.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 t80 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 124.901 1.281 . . . . 0.0 113.311 -175.426 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.12 146.74 42.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 112.276 170.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.56 -37.47 70.6 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.792 0.837 . . . . 0.0 113.176 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.25 -37.27 61.08 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.418 1.008 . . . . 0.0 111.422 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.75 -42.65 90.68 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.825 -0.547 . . . . 0.0 111.648 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.27 -44.98 93.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.627 1.171 . . . . 0.0 110.817 171.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.13 80.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.742 1.155 . . . . 0.0 112.136 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HH ' ' N ' ' A' ' 12' ' ' ASP . 37.9 t80 -55.22 -49.06 72.94 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.765 1.226 . . . . 0.0 111.905 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -62.03 -46.03 90.96 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.63 -0.669 . . . . 0.0 112.664 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.37 -35.53 80.71 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.33 1.052 . . . . 0.0 112.737 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 19' ' ' VAL . 38.1 mt -72.58 -38.36 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.152 0.981 . . . . 0.0 111.23 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.57 -43.11 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.727 0.694 . . . . 0.0 110.68 171.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.11 -52.13 66.66 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.414 0.686 . . . . 0.0 111.677 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.2 -40.56 96.49 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.011 -1.056 . . . . 0.0 112.189 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -59.67 -40.76 88.88 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.152 0.887 . . . . 0.0 112.706 171.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 124.218 1.007 . . . . 0.0 113.318 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.96 -36.47 83.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.64 0.776 . . . . 0.0 112.346 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.57 -41.52 98.39 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.065 0.946 . . . . 0.0 111.324 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -49.09 74.44 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.602 -0.687 . . . . 0.0 110.934 173.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.4 t -57.02 -43.23 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.313 0.96 . . . . 0.0 111.296 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -58.22 -47.99 81.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.745 0.818 . . . . 0.0 111.506 171.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -61.19 -44.39 97.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.083 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -57.16 -43.82 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 121.279 1.854 . . . . 0.0 111.469 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 t -52.66 -53.0 53.21 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.409 0.684 . . . . 0.0 112.18 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.34 23.2 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -77.12 -48.18 18.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.974 1.309 . . . . 0.0 112.119 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -90.42 -13.51 34.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.462 1.105 . . . . 0.0 113.76 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 71.67 70.19 0.16 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.955 2.102 . . . . 0.0 111.133 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.99 -174.16 4.56 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.684 1.594 . . . . 0.0 111.176 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -102.51 148.07 25.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.587 1.155 . . . . 0.0 111.051 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.53 -37.82 70.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.711 0.804 . . . . 0.0 110.797 176.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -64.66 -39.9 94.48 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.271 1.028 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -78.56 -34.16 47.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.305 0.957 . . . . 0.0 112.1 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.42 -46.18 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.626 0.648 . . . . 0.0 110.296 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.6 mmm -59.45 -44.49 92.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.721 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -47.11 -60.67 2.31 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 112.869 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -61.44 -32.72 72.7 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.729 -1.232 . . . . 0.0 113.342 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.1 mt -78.09 -25.08 47.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.427 1.091 . . . . 0.0 111.94 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 124.603 1.161 . . . . 0.0 111.139 174.626 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 CA--C 1.541 0.596 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.01 143.88 57.09 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.587 1.155 . . . . 0.0 111.57 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -50.6 -38.48 45.86 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -77.88 -31.33 51.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.044 0.838 . . . . 0.0 111.924 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.23 -37.51 61.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.347 0.659 . . . . 0.0 111.974 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -60.36 -46.16 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.412 1.085 . . . . 0.0 109.934 170.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.93 -48.09 79.1 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.746 . . . . 0.0 111.872 171.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -54.87 -46.16 74.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.012 0.925 . . . . 0.0 112.912 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -63.34 -48.5 77.72 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.343 -0.848 . . . . 0.0 112.498 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.37 -38.26 90.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.357 1.063 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.84 -33.22 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.348 1.059 . . . . 0.0 111.152 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.49 -40.31 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.807 1.185 . . . . 0.0 110.647 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.82 -45.02 96.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.112 0.869 . . . . 0.0 111.422 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.66 -47.59 85.56 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.354 -0.841 . . . . 0.0 111.772 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 ttt-85 -59.78 -41.1 90.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.582 1.553 . . . . 0.0 113.189 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.3 tpt85 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -171.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 121.24 0.543 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -60.54 -29.77 69.35 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.952 0.901 . . . . 0.0 112.721 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.25 -41.84 72.99 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.043 0.838 . . . . 0.0 111.134 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.72 78.85 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.951 172.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.52 -50.32 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.235 0.925 . . . . 0.0 111.284 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -59.59 -39.63 84.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.797 0.726 . . . . 0.0 112.435 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -67.35 -39.65 85.78 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.625 -0.703 . . . . 0.0 111.936 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.9 t -59.0 -43.91 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 111.203 172.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.9 m -58.18 -39.54 79.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.207 0.912 . . . . 0.0 112.483 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -72.89 -53.8 10.4 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.331 1.053 . . . . 0.0 111.877 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -63.57 -48.27 78.13 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.294 1.437 . . . . 0.0 112.539 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -96.26 -6.97 36.75 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.894 1.678 . . . . 0.0 114.013 -169.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 69.0 24.61 6.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.649 1.979 . . . . 0.0 113.986 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.8 p -104.49 -177.48 3.38 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.533 1.933 . . . . 0.0 112.803 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -106.67 156.87 18.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.318 1.847 . . . . 0.0 111.063 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.6 -45.73 66.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.308 1.043 . . . . 0.0 111.005 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -58.07 -29.79 65.69 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.16 -37.65 53.36 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.778 0.717 . . . . 0.0 110.96 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.19 -43.91 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.116 0.566 . . . . 0.0 110.289 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mmt -57.86 -47.82 81.58 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.739 1.216 . . . . 0.0 111.791 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -52.1 -56.05 16.93 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.577 0.751 . . . . 0.0 112.474 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -70.11 -13.69 62.32 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.18 -20.91 19.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.692 1.197 . . . . 0.0 112.715 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 124.728 1.211 . . . . 0.0 114.116 -173.552 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 148.66 50.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.478 1.111 . . . . 0.0 112.323 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -50.05 -42.46 49.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.369 1.468 . . . . 0.0 113.523 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.79 -32.93 71.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.242 0.928 . . . . 0.0 112.267 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.01 -36.48 35.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.607 0.763 . . . . 0.0 112.567 173.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.44 -42.73 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.182 0.993 . . . . 0.0 110.549 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.58 63.39 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.032 0.933 . . . . 0.0 111.287 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -56.64 -47.27 80.1 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.341 1.056 . . . . 0.0 113.245 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -63.2 -47.87 80.71 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.967 0.803 . . . . 0.0 112.24 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -37.13 85.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.065 0.946 . . . . 0.0 112.335 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mt -72.55 -35.78 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.722 0.809 . . . . 0.0 111.854 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -64.5 -42.05 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.63 1.105 . . . . 0.0 111.128 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -59.69 -48.36 81.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.417 1.008 . . . . 0.0 112.104 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.02 -45.58 90.34 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.191 -0.943 . . . . 0.0 111.294 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -59.47 -43.81 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 113.246 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -176.039 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.443 ' N ' ' HH ' ' A' ' 47' ' ' TYR . 7.9 t0 . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 121.672 0.749 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.6 -31.09 67.73 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.092 0.957 . . . . 0.0 112.292 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.21 -38.81 68.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.366 0.53 . . . . 0.0 111.656 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.83 -45.25 78.84 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.61 -0.681 . . . . 0.0 110.915 173.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -56.41 -46.14 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.388 0.995 . . . . 0.0 110.89 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -61.99 -41.65 98.27 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.568 0.747 . . . . 0.0 112.496 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -65.92 -46.31 78.74 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.633 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.522 HG22 HD12 ' A' ' 50' ' ' ILE . 64.8 t -56.21 -39.21 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.582 1.153 . . . . 0.0 111.273 177.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.03 -37.0 68.62 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.09 -54.69 4.47 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.078 0.951 . . . . 0.0 111.523 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.67 -42.44 95.39 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.464 1.906 . . . . 0.0 113.221 -173.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -98.12 -7.97 28.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.488 1.515 . . . . 0.0 114.047 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 69.66 24.95 5.32 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.472 1.909 . . . . 0.0 114.402 170.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 p -103.22 -178.86 3.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.041 1.736 . . . . 0.0 112.375 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -86.85 151.58 23.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.957 0.903 . . . . 0.0 109.946 169.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.55 -45.62 91.28 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.529 0.732 . . . . 0.0 111.306 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -58.93 -31.49 68.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.922 0.889 . . . . 0.0 112.788 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -72.51 -30.33 64.39 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.657 -0.652 . . . . 0.0 112.135 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -64.99 -49.39 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.791 0.723 . . . . 0.0 109.469 172.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.4 mtp -61.51 -42.85 99.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.59 0.756 . . . . 0.0 111.708 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -52.62 -56.34 16.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.24 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.2 m -65.72 -16.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.1 mt -94.91 -23.33 17.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.076 1.35 . . . . 0.0 112.384 176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.9 t80 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 124.95 1.3 . . . . 0.0 113.323 -174.449 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.38 147.93 52.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.228 1.011 . . . . 0.0 112.04 170.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -50.99 -38.75 53.05 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.97 -36.83 69.94 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.899 0.88 . . . . 0.0 112.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.16 -36.44 64.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.365 0.666 . . . . 0.0 112.026 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.97 0.908 . . . . 0.0 110.832 173.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.33 71.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.242 0.928 . . . . 0.0 111.625 170.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.443 ' HH ' ' N ' ' A' ' 12' ' ' ASP . 44.4 t80 -56.8 -45.8 82.01 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 113.192 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -64.06 -45.42 88.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.28 0.946 . . . . 0.0 112.559 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.93 -38.13 87.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.522 HD12 HG22 ' A' ' 19' ' ' VAL . 63.4 mt -74.28 -34.81 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.144 0.978 . . . . 0.0 111.575 178.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.2 -40.16 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.354 0.979 . . . . 0.0 110.991 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -62.56 -42.88 99.82 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.444 1.475 . . . . 0.0 112.389 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.74 -51.87 67.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.335 0.97 . . . . 0.0 110.918 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -58.81 -41.61 87.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.694 1.998 . . . . 0.0 113.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 . . . . . 0 N--CA 1.47 0.56 0 C-N-CA 125.81 1.644 . . . . 0.0 113.188 -176.266 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.09 -35.5 69.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.676 1.19 . . . . 0.0 112.21 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.96 -40.36 75.46 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.919 0.781 . . . . 0.0 111.768 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.23 25.05 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.865 -0.522 . . . . 0.0 111.244 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.8 -48.87 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.069 0.947 . . . . 0.0 110.49 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -70.41 -22.61 62.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -81.06 -32.76 33.86 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.55 171.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.95 -35.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 120.884 1.675 . . . . 0.0 111.372 170.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 m -54.78 -33.98 62.1 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.957 0.903 . . . . 0.0 113.107 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.29 -53.62 4.02 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.011 1.325 . . . . 0.0 111.586 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -59.72 -40.91 89.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.598 1.159 . . . . 0.0 112.795 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.28 -1.71 18.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.475 1.51 . . . . 0.0 113.885 -171.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 64.54 29.63 13.13 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.008 1.723 . . . . 0.0 113.541 175.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.72 -163.4 0.99 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.276 1.431 . . . . 0.0 112.029 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -128.24 149.04 50.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.962 1.705 . . . . 0.0 110.904 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.62 -44.42 81.16 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.673 0.789 . . . . 0.0 110.905 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.4 m -61.27 -35.09 76.33 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.374 -0.829 . . . . 0.0 112.993 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -77.96 -39.38 42.73 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.728 -0.608 . . . . 0.0 110.892 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.4 -41.65 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.812 0.845 . . . . 0.0 111.395 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -61.64 -39.88 92.93 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 117.846 -1.073 . . . . 0.0 112.373 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -51.33 -55.83 16.29 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 120.522 1.51 . . . . 0.0 113.539 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 m -61.54 -29.99 70.36 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.754 -1.216 . . . . 0.0 113.028 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.18 -23.4 30.58 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.22 1.408 . . . . 0.0 112.12 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 124.755 1.222 . . . . 0.0 110.547 169.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.22 146.25 53.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.891 1.277 . . . . 0.0 112.114 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -56.71 -37.11 70.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.737 0.815 . . . . 0.0 113.082 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.55 -33.03 64.5 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.229 0.922 . . . . 0.0 111.976 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.02 -39.6 69.06 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.195 0.598 . . . . 0.0 111.782 171.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -58.57 -43.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.877 0.871 . . . . 0.0 110.586 170.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.17 82.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.441 1.019 . . . . 0.0 112.379 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.95 68.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.19 0.996 . . . . 0.0 111.909 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -64.17 -48.64 75.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.274 0.63 . . . . 0.0 111.725 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.27 -37.61 86.15 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.78 1.232 . . . . 0.0 112.173 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.86 -40.68 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.608 -0.682 . . . . 0.0 111.253 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.83 -39.84 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 119.442 1.019 . . . . 0.0 111.232 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -60.92 -45.96 92.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.277 0.944 . . . . 0.0 112.02 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -63.45 -43.32 97.72 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.491 -0.756 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.55 -37.29 87.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.896 1.678 . . . . 0.0 112.904 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.261 1.424 . . . . 0.0 112.911 179.15 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 N--CA 1.47 0.573 0 CA-C-O 121.352 0.596 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -61.14 -24.26 66.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.538 0.735 . . . . 0.0 112.841 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -75.18 -39.79 59.97 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.849 0.75 . . . . 0.0 111.552 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.12 87.61 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.224 -0.922 . . . . 0.0 111.198 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.37 -46.44 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.184 0.994 . . . . 0.0 110.919 172.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -59.13 -47.32 85.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.177 0.991 . . . . 0.0 111.855 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.75 -55.22 24.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.944 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.41 -29.91 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 120.387 1.448 . . . . 0.0 113.285 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -55.02 -43.19 73.47 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.573 0.624 . . . . 0.0 112.02 172.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.59 -50.09 5.57 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.449 1.1 . . . . 0.0 111.472 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -62.29 -43.02 99.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.096 1.358 . . . . 0.0 111.879 -173.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -92.44 -10.62 37.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.631 1.172 . . . . 0.0 114.085 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 66.51 77.29 0.28 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.885 2.074 . . . . 0.0 111.923 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 t -149.23 -148.61 0.27 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.403 1.481 . . . . 0.0 111.104 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -133.4 148.07 51.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.013 1.725 . . . . 0.0 110.57 175.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.24 -39.69 83.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.354 0.662 . . . . 0.0 110.934 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -62.56 -41.3 98.83 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.524 -0.735 . . . . 0.0 112.611 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -74.88 -39.12 61.68 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.556 0.616 . . . . 0.0 111.371 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 t -56.43 -51.48 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.863 0.865 . . . . 0.0 110.981 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 97.8 mtp -66.48 -34.66 78.43 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.409 0.683 . . . . 0.0 111.931 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -59.38 -47.83 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.643 1.11 . . . . 0.0 111.657 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.5 m -64.83 -16.27 62.89 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 120.212 1.369 . . . . 0.0 114.266 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.09 -15.84 20.8 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.732 1.213 . . . . 0.0 113.095 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.8 t80 . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.225 1.41 . . . . 0.0 112.401 -178.883 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.82 140.17 53.25 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.928 0.891 . . . . 0.0 110.877 169.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -49.85 -38.18 34.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.803 1.241 . . . . 0.0 114.108 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 mt -74.88 -37.08 62.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.263 0.938 . . . . 0.0 111.854 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.37 -36.94 68.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.72 0.808 . . . . 0.0 111.85 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.15 -50.66 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.73 1.212 . . . . 0.0 110.205 170.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.6 -46.05 84.53 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.981 0.81 . . . . 0.0 111.969 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -56.01 -47.47 77.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.513 1.125 . . . . 0.0 112.263 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -62.86 -45.16 93.88 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.273 -0.892 . . . . 0.0 112.634 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.0 -38.16 87.57 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.172 1.389 . . . . 0.0 111.972 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mt -71.01 -35.14 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.051 0.94 . . . . 0.0 111.547 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 mt -64.56 -42.21 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.544 1.065 . . . . 0.0 111.273 169.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.67 -41.95 91.8 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.366 0.984 . . . . 0.0 111.966 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.61 -56.07 23.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.274 0.63 . . . . 0.0 111.18 172.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -54.46 -33.67 60.05 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.908 2.083 . . . . 0.0 113.776 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 . . . . . 0 CA--C 1.538 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 112.367 176.446 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t0 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.93 -32.49 67.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.935 0.894 . . . . 0.0 112.473 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.68 -41.28 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.131 0.572 . . . . 0.0 111.519 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.2 -47.9 77.97 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.519 175.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.25 -41.21 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.14 0.882 . . . . 0.0 111.136 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.32 -44.26 96.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.126 0.875 . . . . 0.0 111.661 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -64.67 -43.31 93.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.531 0.732 . . . . 0.0 111.696 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.12 -43.18 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.027 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.0 t -58.66 -44.0 90.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.427 0.691 . . . . 0.0 111.755 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.41 -53.89 20.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.372 1.069 . . . . 0.0 112.211 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -65.32 -45.18 85.32 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.927 1.291 . . . . 0.0 113.151 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -97.89 -7.88 29.35 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.882 1.273 . . . . 0.0 114.031 -171.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 65.56 26.24 11.68 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.999 1.719 . . . . 0.0 113.809 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.19 154.08 31.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.432 1.893 . . . . 0.0 110.526 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.9 p -69.38 153.14 44.04 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.039 0.836 . . . . 0.0 112.009 -174.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -53.77 -41.3 67.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.15 0.98 . . . . 0.0 110.754 171.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 p -63.3 -34.55 77.94 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.035 0.934 . . . . 0.0 113.346 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -78.35 -39.5 39.21 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.094 0.861 . . . . 0.0 110.74 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.04 -42.57 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.708 0.803 . . . . 0.0 111.308 174.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.73 -37.74 88.63 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.669 172.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -54.31 -56.17 21.12 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 120.122 1.328 . . . . 0.0 113.079 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -60.83 -28.18 68.62 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.95 -1.094 . . . . 0.0 112.993 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.67 -25.06 31.04 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.05 1.34 . . . . 0.0 112.167 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.0 t80 . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 124.938 1.295 . . . . 0.0 110.914 170.428 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.27 144.85 49.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.73 1.212 . . . . 0.0 112.119 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.06 -36.1 38.13 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.59 -30.07 41.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.105 0.866 . . . . 0.0 111.915 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.33 -38.82 65.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.408 0.683 . . . . 0.0 111.683 169.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.1 -46.76 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.164 0.986 . . . . 0.0 110.082 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -49.47 75.74 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.132 0.878 . . . . 0.0 112.093 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -47.84 63.12 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.742 1.217 . . . . 0.0 112.624 172.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -63.49 -49.99 71.43 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.459 -0.776 . . . . 0.0 112.291 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.26 -34.18 77.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.305 1.442 . . . . 0.0 112.557 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.1 mt -82.69 -33.53 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.144 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.73 -40.16 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.003 1.274 . . . . 0.0 110.237 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.39 -48.28 79.48 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.926 0.89 . . . . 0.0 111.754 170.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -59.17 -48.59 81.06 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.281 -0.887 . . . . 0.0 111.722 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.97 -43.1 99.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.961 1.704 . . . . 0.0 113.983 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 tpt85 . . . . . 0 N--CA 1.473 0.68 0 C-N-CA 124.155 0.982 . . . . 0.0 113.632 -170.581 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.53 0.681 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.71 -30.97 71.99 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.875 0.87 . . . . 0.0 112.816 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.58 -42.31 87.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.4 0.68 . . . . 0.0 111.185 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -63.87 -50.83 67.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.988 0.515 . . . . 0.0 110.69 175.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -51.26 -52.19 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.955 1.302 . . . . 0.0 111.033 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.3 -43.74 88.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.22 1.008 . . . . 0.0 112.497 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -64.94 -38.3 90.5 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.585 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 15' ' ' ALA . 4.0 t -56.17 -32.39 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 120.849 1.659 . . . . 0.0 112.024 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.21 -28.56 69.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -93.12 -50.67 5.4 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.589 1.156 . . . . 0.0 111.67 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -70.41 -48.13 57.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.998 1.319 . . . . 0.0 112.454 -173.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -96.09 -13.36 23.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 67.04 19.76 10.48 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.001 1.721 . . . . 0.0 114.48 173.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.76 144.83 37.63 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.312 1.845 . . . . 0.0 108.693 169.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -67.49 147.43 52.83 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.041 0.837 . . . . 0.0 112.924 -168.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -36.06 62.59 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.871 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 m -64.81 -38.16 90.06 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.813 1.645 . . . . 0.0 113.126 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.85 -39.49 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.701 0.682 . . . . 0.0 110.941 172.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.197 0.999 . . . . 0.0 111.425 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.1 mtm -63.62 -35.8 81.73 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.483 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.44 -53.1 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.469 1.486 . . . . 0.0 112.56 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 -30.48 70.69 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.776 -1.203 . . . . 0.0 112.855 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -82.52 -22.01 35.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 0.0 111.919 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 125.184 1.394 . . . . 0.0 110.945 170.881 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.58 143.21 57.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.072 1.349 . . . . 0.0 112.096 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -54.0 -35.65 62.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.264 1.025 . . . . 0.0 113.239 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.3 mt -80.69 -30.77 36.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.439 1.018 . . . . 0.0 112.512 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.43 77.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.096 0.558 . . . . 0.0 111.214 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.43 -48.76 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.747 1.219 . . . . 0.0 110.471 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.7 68.24 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.682 1.128 . . . . 0.0 111.944 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.25 -47.31 75.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.477 1.111 . . . . 0.0 112.795 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.49 -48.62 80.27 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.127 -0.983 . . . . 0.0 112.208 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.06 -40.8 86.29 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.033 1.333 . . . . 0.0 111.561 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.0 mt -69.57 -33.37 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.945 0.898 . . . . 0.0 111.766 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.64 -44.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.617 1.098 . . . . 0.0 110.701 169.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.34 -46.14 89.45 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.118 0.872 . . . . 0.0 111.422 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.343 -0.848 . . . . 0.0 112.19 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttt-85 -61.46 -38.21 86.39 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.569 1.148 . . . . 0.0 112.757 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.476 0.831 0 C-N-CA 124.465 1.106 . . . . 0.0 113.201 174.799 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -60.63 -29.24 69.13 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.892 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -74.37 -37.04 63.58 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.485 0.584 . . . . 0.0 112.229 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.57 -45.18 84.29 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.501 -0.749 . . . . 0.0 110.776 169.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.36 -44.02 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.426 1.012 . . . . 0.0 111.59 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -63.15 -40.4 97.47 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.085 0.954 . . . . 0.0 112.392 173.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.09 -40.49 78.39 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.149 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.546 HG22 HD12 ' A' ' 50' ' ' ILE . 95.4 t -58.04 -40.98 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.354 1.433 . . . . 0.0 110.875 174.26 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.04 -34.13 67.91 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.17 -55.6 3.85 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.237 1.015 . . . . 0.0 112.218 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -61.75 -45.21 94.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.72 1.608 . . . . 0.0 112.275 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -97.83 -10.05 25.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.369 1.468 . . . . 0.0 114.181 -172.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 67.1 26.0 8.98 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.182 1.793 . . . . 0.0 114.1 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.8 p -102.69 177.17 4.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.051 1.74 . . . . 0.0 111.662 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.0 p -81.89 159.05 23.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.567 0.747 . . . . 0.0 110.091 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.98 -43.97 97.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.107 0.563 . . . . 0.0 111.083 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -63.06 -26.75 68.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.199 -0.938 . . . . 0.0 113.226 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.68 -33.64 76.09 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.075 0.852 . . . . 0.0 111.827 171.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 t -68.21 -45.16 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.594 -0.691 . . . . 0.0 110.129 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.4 -44.44 97.14 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.74 0.816 . . . . 0.0 112.244 173.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -51.08 -58.27 6.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.025 0.93 . . . . 0.0 112.246 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -67.72 -16.28 64.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.07 -29.0 22.22 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.847 0.859 . . . . 0.0 112.264 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.711 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.15 150.8 47.9 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.968 1.307 . . . . 0.0 112.636 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.95 -40.5 57.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.075 1.35 . . . . 0.0 113.668 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.8 -35.62 72.62 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.155 0.889 . . . . 0.0 112.292 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.22 -36.99 58.31 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.524 0.729 . . . . 0.0 112.14 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.02 -41.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.238 1.015 . . . . 0.0 110.88 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.81 71.8 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.998 0.919 . . . . 0.0 111.805 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.33 -48.57 71.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.164 0.586 . . . . 0.0 112.091 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -60.57 -48.04 83.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.139 0.881 . . . . 0.0 111.99 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.14 -34.3 77.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.357 1.063 . . . . 0.0 112.613 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 19' ' ' VAL . 51.7 mt -77.35 -35.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.212 1.005 . . . . 0.0 111.773 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.38 -46.17 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.497 -0.752 . . . . 0.0 109.58 169.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.35 -44.34 96.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.433 0.693 . . . . 0.0 111.962 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.12 -55.5 30.44 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.956 0.798 . . . . 0.0 110.71 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtp-105 -61.06 -53.2 60.1 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.523 1.129 . . . . 0.0 113.316 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -169.934 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.866 0 CA-C-O 119.541 -0.588 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.21 163.63 36.08 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.294 3.33 . . . . 0.0 112.024 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -78.65 150.35 32.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.732 0.813 . . . . 0.0 112.509 176.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.8 tpt -73.43 146.43 45.05 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.019 0.928 . . . . 0.0 112.185 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -83.73 -15.02 50.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.284 1.434 . . . . 0.0 114.817 -173.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -133.16 155.92 48.41 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.577 1.551 . . . . 0.0 112.876 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -166.81 159.43 13.69 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.693 1.997 . . . . 0.0 110.42 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.1 -23.62 14.57 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.19 -23.73 62.51 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.628 1.171 . . . . 0.0 113.899 170.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -114.74 33.42 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.356 1.462 . . . . 0.0 112.673 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.58 152.86 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.753 1.621 . . . . 0.0 110.158 169.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -92.49 100.42 12.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.938 0.895 . . . . 0.0 109.515 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.0 -30.5 71.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.393 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -43.14 87.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.129 0.972 . . . . 0.0 111.179 170.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.48 81.81 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.627 -0.67 . . . . 0.0 111.229 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.18 -47.82 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-N 118.606 0.639 . . . . 0.0 110.711 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.1 -44.16 95.05 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.716 0.807 . . . . 0.0 112.399 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.73 -40.9 97.89 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.531 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.78 -44.02 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.0 1.273 . . . . 0.0 110.564 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.86 -43.33 81.08 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.005 0.821 . . . . 0.0 112.991 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.43 -35.12 25.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -79.36 -42.85 24.69 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.295 0.952 . . . . 0.0 112.257 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -83.06 -22.99 33.35 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.563 1.545 . . . . 0.0 112.994 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.66 71.6 0.17 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.033 2.133 . . . . 0.0 111.039 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.9 p -157.86 179.67 8.98 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.736 . . . . 0.0 112.227 -172.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.1 p -102.76 155.07 18.57 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.516 1.526 . . . . 0.0 111.757 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -56.12 -42.76 77.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.418 0.687 . . . . 0.0 111.002 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -59.29 -33.65 71.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.857 0.863 . . . . 0.0 112.916 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.74 -42.64 67.02 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.591 0.632 . . . . 0.0 110.717 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.76 -48.45 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.088 0.555 . . . . 0.0 110.675 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 88.8 mtp -64.65 -37.58 88.05 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.239 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -53.41 -54.91 30.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.858 1.208 . . . . 0.0 112.212 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.1 m -67.94 -16.86 64.26 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.27 -22.71 21.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.606 1.162 . . . . 0.0 112.449 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -111.43 -38.67 4.89 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.709 1.204 . . . . 0.0 113.747 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 m -130.1 -18.74 3.28 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.196 1.398 . . . . 0.0 114.526 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.27 -130.67 3.54 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.156 0.884 . . . . 0.0 111.133 171.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -145.79 142.31 17.77 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.648 1.179 . . . . 0.0 111.074 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -54.16 -16.13 9.06 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 124.516 3.477 . . . . 0.0 117.041 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -86.27 -8.81 57.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.771 1.229 . . . . 0.0 112.711 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.01 147.2 51.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.155 0.982 . . . . 0.0 111.851 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -55.67 -34.83 65.35 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.31 -34.94 73.31 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.785 1.175 . . . . 0.0 112.36 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.01 -36.23 41.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.511 0.724 . . . . 0.0 112.139 174.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.95 -43.28 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.079 0.951 . . . . 0.0 110.094 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.89 77.79 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.261 0.937 . . . . 0.0 111.799 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.23 -45.43 79.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.869 0.868 . . . . 0.0 112.584 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -62.09 -49.91 74.04 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.253 -0.904 . . . . 0.0 112.457 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.43 -34.09 77.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.631 1.172 . . . . 0.0 112.343 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.73 -32.11 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.896 0.878 . . . . 0.0 111.397 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.92 -35.92 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.556 1.071 . . . . 0.0 111.195 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.92 -44.94 91.4 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.737 -1.227 . . . . 0.0 111.809 169.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.77 -56.01 27.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.086 0.954 . . . . 0.0 111.162 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -54.45 -35.64 63.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.776 2.431 . . . . 0.0 113.965 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -83.37 -56.52 3.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.102 0.961 . . . . 0.0 112.776 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.3 mm -91.51 -60.59 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.041 0.936 . . . . 0.0 112.373 -169.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.2 mtt -67.3 -29.66 69.3 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.801 -0.562 . . . . 0.0 111.859 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -57.85 -27.96 63.68 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.445 1.898 . . . . 0.0 113.474 170.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -107.22 -30.93 8.45 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.73 1.212 . . . . 0.0 112.841 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.44 -20.71 62.88 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.7 p -159.73 168.09 26.77 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.296 1.438 . . . . 0.0 112.886 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.115 1.766 . . . . 0.0 112.132 -177.412 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 CA-C-O 118.949 -0.917 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.18 151.9 44.46 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 124.086 3.191 . . . . 0.0 112.07 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -72.37 -20.65 61.42 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.513 0.725 . . . . 0.0 112.654 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -67.1 -33.91 76.48 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.058 1.343 . . . . 0.0 113.178 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m 177.49 128.97 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 128.501 2.72 . . . . 0.0 110.615 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -163.88 159.95 21.61 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.685 1.594 . . . . 0.0 111.791 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -162.03 154.95 20.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.847 1.659 . . . . 0.0 111.66 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.04 85.6 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -72.98 -40.29 65.4 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.861 0.864 . . . . 0.0 112.25 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.0 t 78.58 88.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 129.984 3.314 . . . . 0.0 108.666 -173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 tt -79.81 172.74 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 126.42 1.888 . . . . 0.0 114.286 -169.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -119.38 124.82 47.52 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.721 1.208 . . . . 0.0 110.034 169.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.06 -32.02 65.8 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.203 1.001 . . . . 0.0 112.888 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.51 -42.43 61.81 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.927 0.891 . . . . 0.0 111.719 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.37 -47.85 84.28 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.748 -0.595 . . . . 0.0 110.439 171.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.3 -38.51 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.572 0.624 . . . . 0.0 111.462 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.38 89.21 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.356 0.663 . . . . 0.0 111.669 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.34 -47.18 74.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.544 0.738 . . . . 0.0 111.758 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 15' ' ' ALA . 59.1 t -58.76 -42.64 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.461 1.028 . . . . 0.0 111.844 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -54.09 -44.87 71.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.864 0.865 . . . . 0.0 112.036 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.86 -53.0 7.99 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.248 1.019 . . . . 0.0 112.279 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -58.8 -46.97 86.36 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.601 1.16 . . . . 0.0 112.763 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -5.62 45.17 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.662 1.185 . . . . 0.0 113.964 -171.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 64.84 29.49 12.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.203 1.801 . . . . 0.0 113.198 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -151.72 0.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 127.097 2.159 . . . . 0.0 111.264 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.3 p -133.01 148.38 52.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.566 1.546 . . . . 0.0 111.143 174.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.22 -46.13 79.64 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.837 0.855 . . . . 0.0 111.167 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -62.2 -34.15 75.9 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.473 0.709 . . . . 0.0 112.628 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.37 -36.99 60.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.314 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.67 -43.24 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 118.5 0.591 . . . . 0.0 110.508 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 99.2 mtp -64.94 -39.42 93.47 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.874 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.12 -51.5 66.24 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.118 1.326 . . . . 0.0 113.54 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -63.54 -23.78 67.53 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.136 -0.977 . . . . 0.0 113.239 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -94.12 -16.54 23.66 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.766 1.626 . . . . 0.0 111.767 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -79.26 -40.29 30.94 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.557 1.543 . . . . 0.0 110.414 169.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.4 p -73.92 -32.38 63.51 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.806 0.443 . . . . 0.0 111.148 169.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.02 31.1 8.75 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 124.93 1.252 . . . . 0.0 114.562 169.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -96.37 111.24 56.18 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 124.357 1.063 . . . . 0.0 111.231 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.43 -7.22 16.83 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.521 2.814 . . . . 0.0 113.511 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -87.62 -15.68 36.63 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.186 0.903 . . . . 0.0 112.647 -172.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.6 145.37 54.0 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.13 -35.04 69.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.674 0.789 . . . . 0.0 112.97 -176.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.7 mt -78.1 -31.21 49.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.596 1.089 . . . . 0.0 112.536 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.2 76.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.547 0.739 . . . . 0.0 111.494 169.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.78 -46.08 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 110.861 171.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.01 69.11 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.964 0.906 . . . . 0.0 111.714 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.97 -47.4 68.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.707 1.203 . . . . 0.0 112.893 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -61.83 -52.26 64.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.941 0.791 . . . . 0.0 112.0 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.43 -37.36 83.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.938 1.295 . . . . 0.0 112.441 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.53 -32.42 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.722 0.809 . . . . 0.0 111.228 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.26 -39.46 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.738 1.154 . . . . 0.0 110.812 169.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.48 -44.22 93.1 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.529 1.059 . . . . 0.0 111.375 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.87 -50.08 74.86 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.381 -0.824 . . . . 0.0 111.977 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -57.93 -39.47 78.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.507 1.523 . . . . 0.0 113.04 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -86.58 -54.08 4.6 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.708 1.203 . . . . 0.0 113.671 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.4 mt -86.42 -43.14 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 124.38 1.072 . . . . 0.0 111.59 -169.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.9 mtt -102.49 32.78 3.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.568 1.547 . . . . 0.0 111.432 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.42 131.65 42.74 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.469 1.508 . . . . 0.0 112.93 -170.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -143.52 148.19 35.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.16 1.384 . . . . 0.0 110.284 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.56 170.46 19.08 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.284 1.434 . . . . 0.0 112.083 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.3 m -78.38 -9.33 59.23 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.728 1.611 . . . . 0.0 113.851 -178.492 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.916 0 CA-C-O 119.035 -0.869 . . . . 0.0 113.203 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.95 -21.52 34.21 Favored 'Trans proline' 0 CA--C 1.541 0.837 1 C-N-CA 125.355 4.036 . . . . 0.0 116.359 -174.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -62.51 -16.93 58.4 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.5 mtt -77.01 143.23 39.51 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.075 0.95 . . . . 0.0 112.036 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -72.07 144.13 48.83 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.693 0.797 . . . . 0.0 112.808 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -66.71 -39.85 88.19 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.724 0.81 . . . . 0.0 112.763 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -171.41 161.6 6.43 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.495 2.318 . . . . 0.0 109.809 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.49 -26.38 20.4 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.162 -0.961 . . . . 0.0 113.45 173.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -91.96 11.0 26.54 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.787 1.635 . . . . 0.0 114.132 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.79 140.33 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.646 1.178 . . . . 0.0 112.761 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.47 149.69 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.752 1.221 . . . . 0.0 112.584 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -93.93 118.38 31.4 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.302 0.573 . . . . 0.0 111.884 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -57.29 -31.3 65.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.62 1.168 . . . . 0.0 112.76 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -70.81 -46.23 63.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.837 0.744 . . . . 0.0 111.275 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.45 82.9 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.891 -0.506 . . . . 0.0 110.984 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 t -53.95 -49.0 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.068 0.849 . . . . 0.0 111.425 173.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -59.92 -40.14 87.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.156 0.982 . . . . 0.0 112.454 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -65.97 -37.73 86.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.432 1.015 . . . . 0.0 112.176 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.5 t -60.46 -43.21 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.101 1.319 . . . . 0.0 110.727 170.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.12 -39.95 83.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.318 0.508 . . . . 0.0 112.081 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.75 -55.14 8.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.623 1.169 . . . . 0.0 112.8 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.64 -46.52 53.59 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.354 -0.841 . . . . 0.0 112.789 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -88.08 -9.87 51.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.991 1.316 . . . . 0.0 114.238 -172.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 65.2 25.04 12.33 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.992 1.717 . . . . 0.0 114.139 171.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -115.6 156.19 26.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.299 1.839 . . . . 0.0 110.153 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -70.4 140.77 52.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.634 1.106 . . . . 0.0 111.833 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -36.44 74.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.001 0.92 . . . . 0.0 111.825 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -62.5 -36.06 81.36 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.181 1.392 . . . . 0.0 112.514 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -75.72 -36.87 59.85 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.543 1.065 . . . . 0.0 110.976 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -56.66 -48.86 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.945 0.498 . . . . 0.0 110.499 171.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.97 -41.67 99.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.402 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -55.36 -50.11 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.559 1.072 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.3 m -62.32 -23.84 66.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.002 1.273 . . . . 0.0 114.028 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.51 -21.89 22.7 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.695 1.198 . . . . 0.0 112.769 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -108.19 -34.3 6.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.563 1.145 . . . . 0.0 113.729 -172.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -144.16 -5.67 0.77 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -173.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.85 -126.71 3.46 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 119.455 1.025 . . . . 0.0 110.793 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.05 139.54 16.05 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.621 1.168 . . . . 0.0 110.999 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.84 -14.57 8.14 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 124.549 3.499 . . . . 0.0 116.919 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -88.89 -7.76 55.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.88 1.272 . . . . 0.0 112.524 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.66 145.43 54.63 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.567 1.147 . . . . 0.0 111.724 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -53.14 -35.77 60.08 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.715 1.206 . . . . 0.0 113.074 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.4 mt -76.41 -31.8 58.15 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.87 1.214 . . . . 0.0 112.671 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.6 62.85 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.312 0.645 . . . . 0.0 111.85 172.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.77 -43.98 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.259 1.024 . . . . 0.0 110.588 169.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.04 78.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.926 0.785 . . . . 0.0 111.586 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.45 -46.45 83.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.224 0.92 . . . . 0.0 112.894 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -57.85 -47.92 81.3 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.132 0.878 . . . . 0.0 112.219 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.24 -37.13 86.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.512 1.125 . . . . 0.0 112.156 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -76.91 -32.37 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.052 0.941 . . . . 0.0 112.303 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -61.59 -41.95 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.297 0.953 . . . . 0.0 109.064 168.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -66.22 -40.23 90.16 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.741 0.701 . . . . 0.0 112.666 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.4 -55.42 35.08 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.229 -0.919 . . . . 0.0 110.381 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -56.52 -35.83 68.51 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.882 2.073 . . . . 0.0 113.85 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -86.97 -51.15 6.19 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.733 1.213 . . . . 0.0 113.746 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -98.64 -47.81 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.158 0.983 . . . . 0.0 113.226 -169.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 mtt -82.14 -14.11 56.19 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -173.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -74.69 52.22 0.51 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.187 2.195 . . . . 0.0 112.571 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -139.76 154.22 47.36 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.078 1.751 . . . . 0.0 110.499 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.56 158.28 33.64 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.327 1.451 . . . . 0.0 112.196 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m -83.41 156.45 22.95 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.334 1.054 . . . . 0.0 112.859 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.397 1.879 . . . . 0.0 113.516 179.573 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 CA-C-O 119.704 -0.498 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.4 163.96 35.09 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.392 3.395 . . . . 0.0 112.118 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -157.09 157.24 34.18 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.189 1.396 . . . . 0.0 111.269 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 63.9 mtt -72.97 165.9 24.1 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.015 0.926 . . . . 0.0 112.84 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -167.11 160.6 14.06 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.578 2.351 . . . . 0.0 108.914 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -58.59 -35.46 72.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -170.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.19 -22.93 61.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.731 1.212 . . . . 0.0 114.219 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.38 -34.36 16.53 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.384 1.073 . . . . 0.0 111.681 172.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.59 -40.44 66.56 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.053 1.341 . . . . 0.0 112.676 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t 69.41 85.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 127.779 2.432 . . . . 0.0 110.847 176.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 tt -143.96 147.95 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.973 1.709 . . . . 0.0 110.486 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.6 107.9 19.88 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.689 0.757 . . . . 0.0 111.254 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.8 -37.19 75.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.149 1.38 . . . . 0.0 112.958 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -67.3 -41.09 85.96 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.09 0.556 . . . . 0.0 111.675 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.97 79.57 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.381 -0.825 . . . . 0.0 110.897 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -60.44 -32.51 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.304 1.842 . . . . 0.0 112.771 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -86.13 -37.64 18.57 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.316 0.962 . . . . 0.0 112.998 173.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.24 -39.6 68.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.018 0.826 . . . . 0.0 112.696 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -51.28 -34.2 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.892 1.277 . . . . 0.0 113.868 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.06 -40.27 88.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.741 0.816 . . . . 0.0 112.085 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -83.12 -52.82 6.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.127 0.971 . . . . 0.0 111.18 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.67 98.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.42 1.488 . . . . 0.0 112.34 -172.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -102.08 -4.84 25.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.198 1.399 . . . . 0.0 113.799 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 65.66 26.63 11.47 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.089 1.756 . . . . 0.0 113.646 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.93 -157.24 0.6 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.605 1.962 . . . . 0.0 111.986 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.19 144.94 49.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.267 1.027 . . . . 0.0 111.656 172.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -50.98 -48.05 61.29 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.094 1.358 . . . . 0.0 110.638 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.17 -39.84 83.74 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -79.3 -31.13 43.19 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.96 0.8 . . . . 0.0 112.046 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.57 -51.28 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.466 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.23 -45.61 93.83 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.936 0.494 . . . . 0.0 111.131 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -55.76 -45.68 78.05 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.398 -0.814 . . . . 0.0 111.903 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -62.95 -27.44 69.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.915 -1.116 . . . . 0.0 113.284 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -84.23 -21.74 31.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.142 0.977 . . . . 0.0 112.492 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -106.76 -41.91 5.1 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.238 1.015 . . . . 0.0 113.653 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -127.81 -17.18 4.54 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.309 1.444 . . . . 0.0 113.979 -170.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.39 -122.38 1.63 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 169.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -146.12 135.82 11.67 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.523 1.129 . . . . 0.0 110.342 170.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -57.43 -5.26 1.53 Allowed 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 124.499 3.466 . . . . 0.0 116.92 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -93.13 -4.78 51.63 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.199 1.4 . . . . 0.0 112.359 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.94 149.55 44.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.685 1.194 . . . . 0.0 111.724 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -50.6 -36.07 33.25 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.339 1.056 . . . . 0.0 113.191 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -72.38 -40.02 67.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.223 0.92 . . . . 0.0 112.015 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.62 74.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.488 0.715 . . . . 0.0 111.886 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.0 t -64.51 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.305 1.042 . . . . 0.0 111.176 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.53 73.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.775 1.17 . . . . 0.0 111.925 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -53.43 -47.67 69.44 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.159 0.984 . . . . 0.0 112.262 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.48 -44.81 95.5 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.171 -0.956 . . . . 0.0 112.939 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.99 -34.91 79.57 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.461 1.104 . . . . 0.0 112.203 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.51 -37.0 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.821 0.848 . . . . 0.0 111.359 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.87 -45.04 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.285 0.948 . . . . 0.0 110.536 169.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.01 -39.96 95.28 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.366 0.985 . . . . 0.0 112.641 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.5 -49.77 75.41 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.85 0.86 . . . . 0.0 111.05 172.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.65 -36.94 74.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.541 1.537 . . . . 0.0 113.176 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -77.8 -59.21 2.88 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.221 1.808 . . . . 0.0 113.165 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.6 mm -95.02 -44.57 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.419 1.488 . . . . 0.0 112.521 -169.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.0 mtt -93.89 31.56 1.6 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.135 1.374 . . . . 0.0 111.533 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -55.58 -32.11 62.76 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.382 1.873 . . . . 0.0 114.431 -169.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -170.97 167.69 7.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.981 1.712 . . . . 0.0 111.278 -171.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.9 165.13 37.41 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.79 1.636 . . . . 0.0 111.615 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 m -170.85 161.51 7.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.093 2.157 . . . . 0.0 111.202 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.915 1.686 . . . . 0.0 112.134 -178.919 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -73.76 164.1 35.56 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.106 3.204 . . . . 0.0 112.005 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -160.13 168.46 25.44 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.302 1.441 . . . . 0.0 112.183 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.3 mtt -73.31 156.4 38.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.101 0.96 . . . . 0.0 111.742 174.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -75.81 113.24 13.06 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.481 -0.762 . . . . 0.0 110.783 173.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -90.05 178.28 6.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.862 1.265 . . . . 0.0 112.658 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -54.23 -38.52 65.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.945 1.298 . . . . 0.0 113.557 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.05 69.87 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.255 1.022 . . . . 0.0 113.14 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -72.52 -46.27 55.42 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.512 0.597 . . . . 0.0 111.536 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 m -83.48 31.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.363 1.065 . . . . 0.0 113.512 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 tt -71.43 157.3 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.108 1.363 . . . . 0.0 112.699 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -86.36 123.02 31.14 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.64 -0.662 . . . . 0.0 110.97 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.85 -38.74 76.21 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.912 174.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.22 -38.52 89.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.942 0.792 . . . . 0.0 111.349 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 -53.83 42.5 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.807 -0.558 . . . . 0.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.94 -39.85 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.523 -0.736 . . . . 0.0 111.903 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -62.28 -45.77 91.8 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.076 0.95 . . . . 0.0 112.151 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -62.81 -39.52 94.52 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 118.131 -0.937 . . . . 0.0 112.418 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.18 -48.82 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.281 1.401 . . . . 0.0 110.483 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.82 -48.38 67.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.766 0.826 . . . . 0.0 111.896 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -70.09 -56.78 6.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.628 1.171 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.45 -42.15 65.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.777 1.231 . . . . 0.0 112.794 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -84.96 -15.2 45.12 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.377 1.071 . . . . 0.0 112.776 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 66.43 55.92 0.8 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.175 1.79 . . . . 0.0 112.254 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.6 m -145.05 170.82 15.44 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.553 1.941 . . . . 0.0 111.207 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -75.48 146.59 40.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.63 0.772 . . . . 0.0 111.764 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.17 -42.17 94.41 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.511 0.725 . . . . 0.0 110.691 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 p -55.81 -34.61 65.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.393 1.077 . . . . 0.0 113.115 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.02 -23.85 44.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.08 0.855 . . . . 0.0 112.543 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.0 -46.84 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.79 0.723 . . . . 0.0 109.175 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.0 mmm -62.25 -48.24 80.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -57.45 -45.31 84.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.742 0.701 . . . . 0.0 111.586 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 m -61.18 -22.2 64.51 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.33 -18.91 18.86 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.809 1.244 . . . . 0.0 112.886 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -98.93 -50.05 4.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.482 1.113 . . . . 0.0 112.921 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -109.75 -22.33 11.96 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.654 1.582 . . . . 0.0 113.259 -174.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.52 -151.29 21.01 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.574 1.083 . . . . 0.0 112.25 171.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -137.78 150.1 66.71 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 125.935 1.694 . . . . 0.0 110.443 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -54.77 5.53 0.04 OUTLIER 'Trans proline' 0 CA--C 1.546 1.086 1 C-N-CA 125.38 4.053 . . . . 0.0 117.907 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -103.01 -10.43 18.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.812 1.645 . . . . 0.0 112.477 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.27 141.98 57.83 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 110.647 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -35.5 45.59 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.61 -32.2 41.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.204 0.911 . . . . 0.0 113.063 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.23 71.8 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.655 0.661 . . . . 0.0 111.389 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.29 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 110.223 169.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.06 82.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.753 1.161 . . . . 0.0 112.308 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.44 -45.13 72.99 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.6 -0.687 . . . . 0.0 112.141 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -59.64 -46.91 87.58 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.078 0.854 . . . . 0.0 112.513 173.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.55 -38.87 92.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.214 0.915 . . . . 0.0 112.777 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.85 -41.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 119.292 0.951 . . . . 0.0 111.728 173.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.61 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.586 0.754 . . . . 0.0 110.499 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.536 1.134 . . . . 0.0 112.289 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.1 -55.98 28.02 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.673 0.789 . . . . 0.0 110.901 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -59.02 -44.74 91.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.988 0.915 . . . . 0.0 112.664 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 -71.6 -47.24 56.01 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.35 1.06 . . . . 0.0 113.744 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.27 -45.54 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -169.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.7 mtt -83.43 -23.52 32.28 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -169.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -51.27 117.02 2.32 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.965 1.706 . . . . 0.0 112.981 -170.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -159.97 164.57 33.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.378 1.471 . . . . 0.0 111.924 -175.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.46 158.58 33.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.126 0.97 . . . . 0.0 112.738 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 p -80.61 -10.66 59.72 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.256 1.402 0 C-N-CA 126.526 1.931 . . . . 0.0 112.581 -178.668 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.074 0 CA-C-O 119.555 -0.58 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.56 134.19 60.68 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 124.38 3.387 . . . . 0.0 112.648 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.89 -6.41 59.08 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.75 154.38 40.69 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.233 1.813 . . . . 0.0 112.471 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -71.75 -25.74 62.17 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -94.91 158.98 15.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.147 1.779 . . . . 0.0 112.359 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -77.41 135.07 38.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.856 0.862 . . . . 0.0 111.669 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.74 -17.05 39.55 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -93.85 -34.97 12.94 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.621 1.168 . . . . 0.0 113.52 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.5 138.96 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.773 1.229 . . . . 0.0 112.487 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 tp -90.28 153.94 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.751 1.22 . . . . 0.0 112.273 -177.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -85.3 107.66 17.43 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.729 0.776 . . . . 0.0 110.61 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.09 -37.9 84.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.555 1.142 . . . . 0.0 112.264 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.8 -43.86 97.68 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.635 0.774 . . . . 0.0 111.198 173.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.68 72.75 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.698 -0.626 . . . . 0.0 110.89 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.77 -42.18 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.826 0.739 . . . . 0.0 111.51 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.69 -45.44 93.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.63 0.772 . . . . 0.0 111.859 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.78 -39.59 94.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.118 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.72 -43.25 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.838 1.653 . . . . 0.0 111.409 173.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -56.4 -45.26 80.7 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.457 0.703 . . . . 0.0 111.245 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.77 -54.07 18.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.268 1.027 . . . . 0.0 112.464 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -66.94 -48.97 66.97 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.635 1.574 . . . . 0.0 112.86 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -93.79 -10.67 33.37 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 114.353 -169.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 69.97 24.85 5.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.37 1.868 . . . . 0.0 114.135 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -103.47 -178.2 3.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.98 1.312 . . . . 0.0 110.903 170.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -92.57 150.72 20.56 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.369 -0.832 . . . . 0.0 111.236 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -56.51 -39.23 72.95 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.088 0.555 . . . . 0.0 110.913 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 p -65.26 -37.92 88.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.769 0.828 . . . . 0.0 113.143 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -75.67 -36.29 60.16 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.287 0.949 . . . . 0.0 111.26 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.99 -46.73 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.892 0.477 . . . . 0.0 110.799 171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.8 mtt -61.14 -37.19 81.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.117 -0.944 . . . . 0.0 112.518 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -54.26 -54.62 37.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.341 1.428 . . . . 0.0 112.729 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -65.1 -23.42 67.15 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.204 -0.935 . . . . 0.0 113.342 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.12 -22.32 27.15 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.067 1.347 . . . . 0.0 111.576 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -82.32 -40.65 21.16 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.582 1.553 . . . . 0.0 111.261 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.9 p -70.56 -30.72 67.5 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.811 -0.556 . . . . 0.0 111.185 169.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.43 28.67 21.58 Favored Glycine 0 C--N 1.342 0.912 0 C-N-CA 124.882 1.229 . . . . 0.0 114.32 169.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -95.36 109.63 46.22 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.288 1.035 . . . . 0.0 111.013 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.13 -4.82 15.24 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.528 2.819 . . . . 0.0 113.358 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -90.21 -16.37 29.57 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.977 0.911 . . . . 0.0 112.411 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.67 142.09 53.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.835 1.254 . . . . 0.0 111.842 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.03 -34.48 65.89 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -75.25 -33.7 61.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.633 1.106 . . . . 0.0 111.881 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.7 66.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.311 0.645 . . . . 0.0 111.91 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.39 -49.47 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.029 0.932 . . . . 0.0 109.828 170.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.05 74.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.693 0.797 . . . . 0.0 111.783 174.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -57.61 -48.44 79.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.852 0.751 . . . . 0.0 113.002 173.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -60.94 -44.38 97.34 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.671 1.123 . . . . 0.0 112.515 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.39 -40.64 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.749 1.22 . . . . 0.0 112.061 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -77.41 -31.97 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.072 0.949 . . . . 0.0 111.976 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.623 1.101 . . . . 0.0 109.563 169.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.99 -42.4 99.1 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.607 0.64 . . . . 0.0 111.993 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.68 -56.98 15.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.955 0.502 . . . . 0.0 110.76 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -52.05 -38.84 58.43 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.109 1.763 . . . . 0.0 113.173 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -80.01 -49.13 12.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.037 1.335 . . . . 0.0 113.393 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.2 mm -110.48 -48.97 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 mmt -108.76 37.6 2.49 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.218 1.407 . . . . 0.0 112.659 -169.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -56.71 135.32 55.23 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.232 1.013 . . . . 0.0 113.528 -169.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.49 -40.64 61.7 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.187 0.995 . . . . 0.0 112.804 -175.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -161.62 152.56 18.11 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.419 1.088 . . . . 0.0 113.016 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.9 p -173.29 156.46 3.13 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.232 1.813 . . . . 0.0 111.711 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.602 1.561 . . . . 0.0 112.173 -177.842 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.942 0 CA-C-O 119.532 -0.594 . . . . 0.0 112.978 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.05 160.37 36.76 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 124.08 3.186 . . . . 0.0 112.176 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -65.22 -18.78 65.58 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.518 0.727 . . . . 0.0 112.475 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.13 -15.86 63.97 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.135 1.374 . . . . 0.0 113.765 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -77.18 51.66 0.85 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.926 1.29 . . . . 0.0 112.632 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -60.55 164.01 4.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.683 1.593 . . . . 0.0 112.89 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.88 -33.38 70.42 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.62 1.168 . . . . 0.0 113.608 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.63 57.13 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.448 1.099 . . . . 0.0 113.016 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -81.43 -42.65 20.06 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.719 1.208 . . . . 0.0 112.856 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.42 141.29 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.452 1.101 . . . . 0.0 112.458 -171.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 tt -140.72 152.47 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.665 1.586 . . . . 0.0 110.8 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.43 105.26 17.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.676 0.79 . . . . 0.0 110.453 174.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.16 -35.58 75.65 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.127 0.971 . . . . 0.0 112.639 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.85 -39.73 87.69 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.107 0.963 . . . . 0.0 111.625 174.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.1 76.98 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.443 -0.785 . . . . 0.0 111.546 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.53 -42.64 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.387 1.075 . . . . 0.0 111.139 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.13 -47.36 83.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.847 0.859 . . . . 0.0 111.58 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.39 -47.88 71.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 117.906 -1.045 . . . . 0.0 113.296 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.9 -31.64 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 120.693 1.588 . . . . 0.0 113.051 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.31 -37.05 69.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.291 1.036 . . . . 0.0 112.059 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -91.72 -52.39 4.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.021 1.328 . . . . 0.0 111.063 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -53.45 -46.78 69.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.622 1.569 . . . . 0.0 112.352 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -101.85 -4.64 25.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.025 1.33 . . . . 0.0 114.152 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 63.41 30.42 15.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.755 1.622 . . . . 0.0 113.369 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.72 -148.87 0.39 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.385 1.874 . . . . 0.0 111.727 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -131.07 148.06 52.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.605 1.162 . . . . 0.0 110.959 170.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -55.65 -42.24 74.76 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.787 0.835 . . . . 0.0 110.168 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -60.07 -42.14 93.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.392 1.077 . . . . 0.0 112.75 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -80.01 -30.12 39.54 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.139 0.881 . . . . 0.0 112.191 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.91 -49.74 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.928 -0.483 . . . . 0.0 110.088 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtm -62.17 -40.88 97.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.764 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -52.21 -56.45 14.57 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.122 0.874 . . . . 0.0 110.84 172.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -61.87 -21.61 64.83 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -87.47 -25.38 23.76 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.735 0.814 . . . . 0.0 113.133 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -111.64 -33.44 6.35 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -174.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -130.13 -17.57 3.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.681 1.193 . . . . 0.0 114.184 -172.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.65 -125.51 2.79 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.506 1.05 . . . . 0.0 110.524 169.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -146.33 139.31 14.32 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.493 1.117 . . . . 0.0 110.887 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -55.5 -15.0 10.94 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.231 3.287 . . . . 0.0 116.835 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -88.2 -2.6 58.7 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.172 0.989 . . . . 0.0 112.911 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.1 145.84 55.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.477 1.111 . . . . 0.0 111.546 169.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -47.82 -38.64 16.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.043 1.337 . . . . 0.0 114.188 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -76.21 -37.22 58.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.39 0.995 . . . . 0.0 112.14 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.58 73.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.305 0.642 . . . . 0.0 111.402 171.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -57.55 -46.18 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.256 1.023 . . . . 0.0 110.999 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.21 75.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.502 1.046 . . . . 0.0 112.272 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.39 -47.21 76.21 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.07 0.948 . . . . 0.0 112.36 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.55 -42.65 95.56 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.101 -0.999 . . . . 0.0 113.321 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.48 -36.62 84.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.602 1.161 . . . . 0.0 111.96 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.84 -32.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.473 0.709 . . . . 0.0 111.489 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -68.9 -35.94 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.328 0.967 . . . . 0.0 111.541 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.42 -45.08 89.07 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.664 -1.272 . . . . 0.0 111.97 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.11 -54.3 48.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.119 0.967 . . . . 0.0 111.229 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -54.91 -36.33 65.09 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.386 2.275 . . . . 0.0 113.921 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -83.48 -55.11 4.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 0.0 113.194 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.8 mm -92.66 -56.75 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.32 1.048 . . . . 0.0 112.508 -169.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 60.8 mtt -73.04 -17.33 61.45 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -171.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -66.82 -20.73 65.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.399 1.48 . . . . 0.0 113.586 171.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -72.85 139.7 47.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.861 0.864 . . . . 0.0 111.473 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.6 159.88 30.73 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.138 0.975 . . . . 0.0 113.091 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.4 p -81.23 -9.73 59.73 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.561 1.944 . . . . 0.0 112.84 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.083 0 CA-C-O 119.711 -0.494 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -79.16 -21.21 9.4 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.22 3.28 . . . . 0.0 113.943 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -120.74 151.14 39.93 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.955 1.302 . . . . 0.0 111.218 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.1 mmt -75.57 166.98 22.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.323 1.049 . . . . 0.0 112.728 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 m -68.73 -20.21 64.38 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -113.99 -61.88 1.68 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.817 1.247 . . . . 0.0 111.757 171.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -161.82 129.18 3.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.906 1.282 . . . . 0.0 111.428 -172.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.59 46.52 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -65.89 -37.33 85.82 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.803 0.729 . . . . 0.0 112.766 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -77.81 24.43 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.328 1.451 . . . . 0.0 113.621 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -145.65 156.58 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 126.965 2.106 . . . . 0.0 110.917 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -146.49 121.0 9.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.41 1.484 . . . . 0.0 107.007 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.6 -21.81 63.07 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -84.21 -40.59 17.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.351 0.66 . . . . 0.0 112.443 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.83 83.67 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.245 -0.909 . . . . 0.0 111.172 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.78 -31.51 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.665 1.186 . . . . 0.0 111.517 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.34 -49.26 51.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.186 -0.946 . . . . 0.0 111.121 169.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.33 -45.31 76.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG11 HG11 ' A' ' 30' ' ' VAL . 8.7 p -54.76 -24.37 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.027 1.331 . . . . 0.0 113.517 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -65.42 -43.18 91.32 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 118.451 0.569 . . . . 0.0 112.14 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -91.29 -32.77 15.6 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.667 0.787 . . . . 0.0 112.831 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -71.59 -39.61 70.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.079 1.352 . . . . 0.0 112.156 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.81 -2.97 19.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.141 1.377 . . . . 0.0 114.535 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 64.71 28.22 13.06 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.69 1.596 . . . . 0.0 113.911 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.3 m -118.07 159.7 22.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.507 1.923 . . . . 0.0 110.39 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 p -76.37 152.1 36.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 120.604 -1.31 . . . . 0.0 111.584 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -56.41 -44.68 80.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.087 0.555 . . . . 0.0 110.347 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.9 p -66.15 -27.39 67.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.59 -42.64 70.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.238 0.926 . . . . 0.0 110.552 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.48 HG11 HG11 ' A' ' 19' ' ' VAL . 60.9 t -70.03 -37.56 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.841 -0.537 . . . . 0.0 111.776 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -41.8 77.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.522 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -57.39 -48.18 79.75 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.717 1.144 . . . . 0.0 112.586 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 m -69.65 -12.33 61.55 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -97.7 -16.17 20.05 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.109 1.364 . . . . 0.0 112.314 172.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -97.42 -48.82 5.15 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.707 2.003 . . . . 0.0 112.996 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.7 p -142.75 -20.11 0.66 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.86 169.14 54.82 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 169.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -76.08 138.72 68.74 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 122.041 -0.682 . . . . 0.0 111.38 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.23 2.2 4.02 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.779 2.986 . . . . 0.0 114.834 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -109.2 7.4 25.4 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.105 1.362 . . . . 0.0 112.167 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.05 150.41 42.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.677 1.191 . . . . 0.0 110.912 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -48.58 -36.55 15.84 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.99 -36.74 40.84 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.994 0.815 . . . . 0.0 112.098 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.61 84.31 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.991 0.516 . . . . 0.0 111.363 171.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.53 -43.97 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.729 1.212 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.56 71.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.791 1.178 . . . . 0.0 111.874 173.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -54.13 -48.91 70.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.136 0.574 . . . . 0.0 111.779 171.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.51 -46.08 91.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.167 -0.958 . . . . 0.0 112.387 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.8 -36.1 82.05 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.581 1.152 . . . . 0.0 111.692 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.01 -37.46 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.592 0.757 . . . . 0.0 111.438 175.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.3 mm -61.69 -42.53 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.987 0.915 . . . . 0.0 110.939 169.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.85 -46.1 89.48 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.977 0.808 . . . . 0.0 111.315 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -57.32 -55.33 36.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.207 -0.933 . . . . 0.0 110.899 172.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -55.28 -51.23 67.34 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.538 1.935 . . . . 0.0 114.096 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -97.31 -36.3 10.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.231 1.012 . . . . 0.0 113.602 -170.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.5 mm -100.14 -27.37 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-O 118.023 -0.989 . . . . 0.0 112.647 -174.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.9 tpt 112.83 -29.62 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 131.159 3.784 . . . . 0.0 111.047 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -166.4 161.03 16.16 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.991 1.716 . . . . 0.0 112.217 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.53 149.85 49.84 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.896 0.878 . . . . 0.0 110.926 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.44 -19.26 56.31 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -173.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.4 p -165.49 161.58 18.75 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.249 1.819 . . . . 0.0 111.381 -176.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.326 1.45 . . . . 0.0 113.154 179.506 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.993 0 CA-C-O 119.215 -0.769 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.48 -21.01 23.06 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.954 3.103 . . . . 0.0 114.31 -171.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -63.04 -18.88 63.83 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.553 1.07 . . . . 0.0 112.701 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 55.5 mtt -65.33 -8.7 19.54 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.553 -1.342 . . . . 0.0 113.393 172.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -74.4 -15.45 60.92 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.123 0.969 . . . . 0.0 112.286 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -129.72 -27.6 2.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.757 1.623 . . . . 0.0 113.594 -173.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.96 151.84 41.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.084 1.354 . . . . 0.0 112.279 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.45 -19.21 8.7 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -70.42 -10.62 59.6 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -54.72 145.5 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.374 1.469 . . . . 0.0 112.395 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 tt -138.67 168.1 20.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.859 1.264 . . . . 0.0 112.104 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -139.11 129.04 24.99 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.736 1.214 . . . . 0.0 109.716 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.48 -30.86 68.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.721 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -68.89 -44.57 72.95 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.23 0.612 . . . . 0.0 111.184 174.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.89 -44.4 85.41 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.398 -0.814 . . . . 0.0 111.375 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -57.37 -45.0 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.164 0.893 . . . . 0.0 111.27 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.36 -46.1 86.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.145 0.978 . . . . 0.0 111.995 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.99 -47.77 76.33 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.635 -0.698 . . . . 0.0 112.099 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG22 HD12 ' A' ' 50' ' ' ILE . 87.2 t -55.02 -38.1 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.961 1.304 . . . . 0.0 111.079 176.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.1 t -59.83 -34.95 73.75 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.16 -52.36 5.1 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.805 0.842 . . . . 0.0 111.657 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.44 -39.85 94.62 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.851 1.661 . . . . 0.0 112.956 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -103.46 -3.54 25.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.257 1.423 . . . . 0.0 113.964 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 63.79 26.93 14.53 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.82 1.648 . . . . 0.0 114.097 170.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.5 m -111.64 164.75 12.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.278 1.831 . . . . 0.0 111.592 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -77.26 150.78 35.31 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.157 -0.964 . . . . 0.0 110.705 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -55.5 -44.39 76.52 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.512 0.725 . . . . 0.0 111.079 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -58.95 -29.17 66.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.701 1.2 . . . . 0.0 113.386 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.91 -34.79 66.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.184 0.902 . . . . 0.0 111.415 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.54 -39.63 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.087 0.555 . . . . 0.0 110.237 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.8 mtt -65.9 -47.18 75.66 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.67 0.788 . . . . 0.0 111.841 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -50.42 -56.05 13.15 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.526 1.13 . . . . 0.0 112.796 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 m -68.82 -14.42 63.02 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -95.44 -22.36 17.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.57 1.148 . . . . 0.0 112.545 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -96.59 -44.09 7.3 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 113.183 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.8 p -137.49 -13.53 1.52 Allowed 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -170.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.59 -133.14 3.44 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.223 0.916 . . . . 0.0 111.299 169.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -140.61 139.7 20.78 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 124.45 1.1 . . . . 0.0 111.328 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -55.93 -13.86 9.86 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.486 3.457 . . . . 0.0 117.232 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -91.1 -3.51 57.05 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.67 1.123 . . . . 0.0 113.083 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.46 151.07 48.02 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.822 1.249 . . . . 0.0 112.488 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -52.26 -37.77 56.33 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.762 1.225 . . . . 0.0 114.019 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mt -71.64 -37.4 70.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.428 1.013 . . . . 0.0 112.242 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.95 68.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.095 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.73 -44.83 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.53 1.132 . . . . 0.0 110.711 171.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.23 -50.29 71.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.684 1.129 . . . . 0.0 111.755 172.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.02 -49.97 65.2 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.302 0.641 . . . . 0.0 112.306 172.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.27 -47.12 87.46 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.047 0.84 . . . . 0.0 112.24 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -32.57 74.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.778 1.231 . . . . 0.0 112.405 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.498 HD12 HG22 ' A' ' 19' ' ' VAL . 73.9 mt -79.84 -34.81 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.763 0.825 . . . . 0.0 111.424 177.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.26 -44.98 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.954 0.901 . . . . 0.0 109.404 169.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.35 -44.49 91.3 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.906 0.775 . . . . 0.0 111.909 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -57.19 -44.23 83.41 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.723 0.692 . . . . 0.0 110.955 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -64.42 -45.43 87.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.698 1.999 . . . . 0.0 113.148 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -81.64 -43.22 18.87 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.937 1.295 . . . . 0.0 113.433 -172.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.0 mm -81.03 -28.34 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.668 1.187 . . . . 0.0 111.157 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 ttt 82.78 53.53 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.962 2.505 . . . . 0.0 109.903 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 81.3 135.18 0.06 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 130.097 3.359 . . . . 0.0 112.664 -170.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -78.5 158.62 28.55 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.343 1.457 . . . . 0.0 111.821 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.79 161.63 29.42 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.862 0.865 . . . . 0.0 112.739 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -74.13 -14.52 60.98 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.254 1.299 0 C-N-CA 127.154 2.182 . . . . 0.0 113.533 -175.573 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 CA-C-O 119.376 -0.68 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.19 161.61 22.47 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 124.611 3.541 . . . . 0.0 113.632 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -156.52 157.75 35.96 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.105 1.362 . . . . 0.0 111.022 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.0 ttm 72.47 -43.41 0.56 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.28 2.632 . . . . 0.0 113.799 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 m -57.58 -19.05 23.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.853 1.661 . . . . 0.0 114.996 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -77.67 -16.72 58.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.652 1.181 . . . . 0.0 113.926 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -93.06 137.34 32.5 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.586 1.155 . . . . 0.0 112.991 -173.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.68 -19.85 18.61 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.0 -19.86 64.75 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.049 0.939 . . . . 0.0 113.356 173.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 m -125.18 151.23 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.792 1.237 . . . . 0.0 111.146 174.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -147.78 168.15 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.229 1.411 . . . . 0.0 111.298 -171.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -84.75 114.1 21.81 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.67 0.748 . . . . 0.0 110.187 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.65 -31.18 66.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.02 0.928 . . . . 0.0 112.271 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.61 -40.6 63.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.85 0.75 . . . . 0.0 112.031 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -52.35 65.45 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 172.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.54 -37.46 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.58 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -57.01 -50.43 72.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.46 -51.46 69.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.594 0.634 . . . . 0.0 111.238 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.83 -42.64 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.462 1.028 . . . . 0.0 111.991 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -53.51 -51.28 63.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.955 0.902 . . . . 0.0 112.482 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.58 -29.69 16.79 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.9 -43.49 68.2 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.137 -0.977 . . . . 0.0 111.853 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -93.64 -14.85 25.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.501 1.12 . . . . 0.0 113.733 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.69 71.51 0.17 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.929 2.092 . . . . 0.0 111.583 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.8 t -145.51 -146.58 0.19 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.894 1.678 . . . . 0.0 110.974 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.4 p -134.31 149.73 50.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.249 1.82 . . . . 0.0 110.575 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.01 -43.04 73.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 111.291 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -62.67 -43.0 99.92 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.782 0.833 . . . . 0.0 112.539 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.87 -38.88 76.54 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.973 0.806 . . . . 0.0 111.403 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.01 -46.97 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 122.945 0.498 . . . . 0.0 110.945 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtt -61.33 -41.23 96.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.299 0.64 . . . . 0.0 112.133 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -56.31 -52.36 64.83 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.301 0.955 . . . . 0.0 111.796 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -63.59 -19.88 65.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.588 1.54 . . . . 0.0 114.263 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.9 -24.94 24.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.939 . . . . 0.0 112.664 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -111.5 -44.62 3.49 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -174.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.7 p -121.36 -17.52 7.59 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.339 1.456 . . . . 0.0 114.554 -171.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.79 -126.75 2.12 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.503 1.049 . . . . 0.0 110.961 170.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -146.2 140.07 15.1 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 124.425 1.09 . . . . 0.0 111.145 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -55.35 -12.65 6.04 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.71 3.607 . . . . 0.0 116.904 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -90.12 -7.17 54.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.596 1.158 . . . . 0.0 112.605 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.9 148.97 50.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.504 1.121 . . . . 0.0 112.201 172.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -54.05 -35.0 61.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.479 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -74.24 -32.74 63.09 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.055 1.298 . . . . 0.0 112.572 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -36.76 58.31 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.342 0.657 . . . . 0.0 111.934 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.69 -44.94 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.121 0.968 . . . . 0.0 110.249 169.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.01 72.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.797 0.839 . . . . 0.0 111.522 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -52.92 -47.58 67.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.986 0.914 . . . . 0.0 113.109 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -61.44 -50.18 73.84 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.417 -0.802 . . . . 0.0 112.603 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.77 -39.44 91.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.854 1.261 . . . . 0.0 112.345 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.58 -31.83 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.954 0.902 . . . . 0.0 111.078 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.81 -41.25 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.509 1.049 . . . . 0.0 110.745 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.9 -41.23 95.67 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.336 0.971 . . . . 0.0 112.08 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.62 -56.35 20.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.5 0.72 . . . . 0.0 110.886 170.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.23 -39.2 56.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.511 1.524 . . . . 0.0 113.148 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -84.0 -52.63 6.16 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.449 1.499 . . . . 0.0 113.842 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.4 mt -101.67 -43.05 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 124.085 0.954 . . . . 0.0 113.371 -169.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ptp -134.69 71.16 1.44 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.501 1.12 . . . . 0.0 112.344 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -62.59 132.35 52.09 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.938 0.895 . . . . 0.0 112.035 -174.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -86.86 -23.13 25.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.942 0.897 . . . . 0.0 112.741 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.58 -18.25 59.8 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 p -90.67 -5.23 56.06 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.347 1.459 . . . . 0.0 114.033 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.256 1.442 0 C-N-CA 125.252 1.421 . . . . 0.0 114.052 -179.854 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 CA-C-O 119.654 -0.526 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -74.16 161.61 40.43 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 124.202 3.268 . . . . 0.0 112.173 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -81.23 139.08 35.71 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.767 0.827 . . . . 0.0 112.19 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.4 mtp -79.64 157.73 27.21 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.449 0.7 . . . . 0.0 109.751 169.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -55.07 -39.06 68.84 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -69.84 -33.82 72.81 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.84 -28.29 30.24 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.998 1.319 . . . . 0.0 112.333 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.91 84.75 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.327 1.051 . . . . 0.0 110.644 169.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -72.65 -37.95 67.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.128 0.971 . . . . 0.0 112.598 172.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t 74.04 93.63 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 128.815 2.846 . . . . 0.0 109.155 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 tp -147.64 146.78 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 124.15 0.98 . . . . 0.0 112.088 -169.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.48 101.07 12.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.543 1.137 . . . . 0.0 108.604 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.39 -32.93 73.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.165 0.986 . . . . 0.0 112.331 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.51 -39.63 94.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.608 0.763 . . . . 0.0 111.495 171.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.66 86.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.889 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.29 -46.38 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 119.434 1.016 . . . . 0.0 110.429 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -59.35 -43.87 92.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.647 0.779 . . . . 0.0 111.657 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -61.79 -42.26 98.77 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.179 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.77 -43.3 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.85 1.659 . . . . 0.0 111.498 173.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.66 -52.55 59.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.449 0.568 . . . . 0.0 112.452 176.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.61 -35.8 29.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -84.82 -44.21 13.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.135 0.974 . . . . 0.0 112.079 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -84.55 -12.9 53.24 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 67.54 70.97 0.35 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.365 1.866 . . . . 0.0 111.326 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -160.33 172.57 17.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.443 1.897 . . . . 0.0 110.237 -171.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.1 p -91.85 148.75 21.99 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 120.42 1.464 . . . . 0.0 112.067 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.79 -36.68 72.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.341 0.657 . . . . 0.0 111.183 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -63.59 -40.62 97.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.825 0.85 . . . . 0.0 112.532 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.34 -41.31 80.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.755 -0.591 . . . . 0.0 111.143 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.46 -48.55 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.375 0.67 . . . . 0.0 111.107 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 81.1 mmm -63.69 -35.39 80.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 117.963 -1.018 . . . . 0.0 113.411 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -51.37 -57.59 8.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.138 1.336 . . . . 0.0 112.402 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 m -63.94 -26.22 68.49 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.208 -0.933 . . . . 0.0 113.216 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -83.49 -22.37 32.53 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.261 1.424 . . . . 0.0 111.659 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -83.96 -41.41 17.36 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.419 1.488 . . . . 0.0 110.952 172.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.0 m -66.39 -30.92 71.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.434 0.694 . . . . 0.0 112.276 170.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.36 32.64 13.24 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.752 1.167 . . . . 0.0 113.506 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -100.39 108.14 51.43 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.563 1.145 . . . . 0.0 110.533 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -80.01 -6.49 14.09 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.46 2.773 . . . . 0.0 113.643 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -94.12 -11.68 30.0 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.218 0.917 . . . . 0.0 112.786 -175.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -68.32 143.36 55.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.715 1.206 . . . . 0.0 112.019 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.48 -33.51 68.07 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.77 -27.85 40.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.945 1.248 . . . . 0.0 112.554 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.76 -37.58 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.905 0.775 . . . . 0.0 111.564 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.81 -49.97 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.546 1.139 . . . . 0.0 109.671 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.79 -47.84 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 171.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -58.37 -44.82 89.02 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.83 0.852 . . . . 0.0 113.164 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -61.85 -52.35 64.51 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.4 -0.813 . . . . 0.0 111.369 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.81 -33.89 72.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.253 1.421 . . . . 0.0 111.985 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.2 mt -78.39 -31.16 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.38 1.072 . . . . 0.0 112.238 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.0 -39.97 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.075 1.307 . . . . 0.0 109.689 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.45 -44.77 92.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.613 0.642 . . . . 0.0 111.127 171.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -57.01 -57.24 13.43 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.756 1.162 . . . . 0.0 111.452 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -53.7 -38.42 64.23 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.231 2.212 . . . . 0.0 114.541 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -100.77 -34.01 10.01 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.9 mt -96.03 -58.08 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.575 1.08 . . . . 0.0 111.472 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -70.26 -22.93 62.82 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.495 -0.753 . . . . 0.0 112.164 -172.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -67.61 -27.83 67.23 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.968 0.907 . . . . 0.0 113.076 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -99.61 -35.86 9.7 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.999 1.319 . . . . 0.0 112.121 -176.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.81 143.2 58.04 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.573 1.149 . . . . 0.0 113.09 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -86.86 -13.4 45.01 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.308 2.243 . . . . 0.0 113.297 -176.911 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 CA-C-O 119.387 -0.674 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.48 148.1 72.34 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 124.06 3.173 . . . . 0.0 111.512 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -166.94 167.24 14.92 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.503 1.521 . . . . 0.0 111.521 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.9 mtm -139.19 155.06 48.09 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.163 1.385 . . . . 0.0 111.667 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 p -73.85 -12.88 60.81 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.065 0.946 . . . . 0.0 113.237 171.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -53.49 -37.59 62.87 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.968 1.307 . . . . 0.0 113.447 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.7 -27.75 68.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.835 1.254 . . . . 0.0 113.433 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.09 -39.01 13.92 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.364 1.066 . . . . 0.0 111.843 170.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -73.02 -32.14 64.92 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -175.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.55 132.65 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.332 1.053 . . . . 0.0 111.353 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 tp -147.34 153.49 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.581 1.552 . . . . 0.0 111.009 -170.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.87 113.08 21.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.245 0.545 . . . . 0.0 109.623 169.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.68 -34.41 75.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.692 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -71.26 -37.41 71.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.113 0.869 . . . . 0.0 112.911 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.45 -49.21 69.98 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.012 0.823 . . . . 0.0 111.179 171.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.26 -44.85 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.68 0.673 . . . . 0.0 111.551 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -61.12 -42.86 99.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.297 1.039 . . . . 0.0 112.777 172.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.07 -53.75 53.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.376 173.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG22 HD12 ' A' ' 50' ' ' ILE . 84.2 t -52.15 -37.46 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 CA-C-N 119.663 1.119 . . . . 0.0 111.913 -174.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -51.39 -51.67 52.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.957 0.903 . . . . 0.0 112.876 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.48 -33.58 13.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.76 -41.24 62.73 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.924 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -99.2 -14.32 19.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.805 1.242 . . . . 0.0 114.002 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 70.81 74.63 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.654 1.982 . . . . 0.0 111.042 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -155.55 -177.95 6.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.931 1.692 . . . . 0.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -93.01 141.6 28.22 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.92 91.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.388 0.614 . . . . 0.0 112.516 -169.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.0 m -61.72 -28.64 69.56 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.73 1.212 . . . . 0.0 112.829 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -71.36 -30.45 66.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.399 -0.813 . . . . 0.0 112.047 173.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -66.32 -46.73 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.914 0.886 . . . . 0.0 109.516 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -59.55 -45.85 90.59 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.6 0.76 . . . . 0.0 110.84 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -55.04 -51.82 65.1 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.63 0.772 . . . . 0.0 112.339 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.7 p -69.23 -15.52 63.39 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.93 -23.79 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.289 1.035 . . . . 0.0 112.116 172.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -96.63 -52.46 3.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.901 1.281 . . . . 0.0 113.311 -175.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.1 p -125.53 -12.78 6.66 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.14 1.376 . . . . 0.0 114.251 -171.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.33 -133.07 3.77 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.456 1.027 . . . . 0.0 111.367 169.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -141.17 137.43 16.79 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.562 1.145 . . . . 0.0 111.408 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -57.79 -9.74 6.24 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.451 3.434 . . . . 0.0 117.473 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.0 -2.81 58.65 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.226 1.011 . . . . 0.0 112.34 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.12 146.74 42.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 112.276 170.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.56 -37.47 70.6 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.792 0.837 . . . . 0.0 113.176 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.25 -37.27 61.08 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.418 1.008 . . . . 0.0 111.422 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.75 -42.65 90.68 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.825 -0.547 . . . . 0.0 111.648 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.27 -44.98 93.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.627 1.171 . . . . 0.0 110.817 171.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.13 80.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.742 1.155 . . . . 0.0 112.136 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -55.22 -49.06 72.94 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.765 1.226 . . . . 0.0 111.905 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -62.03 -46.03 90.96 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.63 -0.669 . . . . 0.0 112.664 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.37 -35.53 80.71 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.33 1.052 . . . . 0.0 112.737 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 19' ' ' VAL . 38.1 mt -72.58 -38.36 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.152 0.981 . . . . 0.0 111.23 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.57 -43.11 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.727 0.694 . . . . 0.0 110.68 171.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.11 -52.13 66.66 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.414 0.686 . . . . 0.0 111.677 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.2 -40.56 96.49 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.011 -1.056 . . . . 0.0 112.189 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -59.67 -40.76 88.88 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.152 0.887 . . . . 0.0 112.706 171.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -71.2 -54.66 10.2 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.218 1.007 . . . . 0.0 113.318 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.7 pt -105.37 -23.67 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 -169.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.2 mtt -103.77 -16.13 15.52 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.086 1.312 . . . . 0.0 114.319 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -64.78 -33.33 75.73 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -162.26 146.06 11.94 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.649 1.58 . . . . 0.0 109.854 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.43 56.12 1.06 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.166 1.386 . . . . 0.0 111.994 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 m -69.86 -15.57 63.11 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.341 1.457 . . . . 0.0 114.358 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.594 1.957 . . . . 0.0 112.173 -178.269 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 CA-C-O 119.646 -0.53 . . . . 0.0 112.78 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.53 161.68 34.0 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.318 3.345 . . . . 0.0 112.085 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -62.38 -21.9 65.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.698 0.799 . . . . 0.0 113.071 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 91.2 mmm -63.17 -21.16 66.03 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.075 0.95 . . . . 0.0 113.467 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -69.84 -21.93 63.32 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -102.64 -28.27 12.23 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.049 1.34 . . . . 0.0 113.004 173.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -52.64 -34.39 51.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.134 1.374 . . . . 0.0 114.037 -175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.85 -27.84 45.42 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.046 1.338 . . . . 0.0 113.646 175.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -81.33 -17.93 47.48 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.749 1.22 . . . . 0.0 113.556 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.0 t -86.0 124.22 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.755 1.222 . . . . 0.0 109.395 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 tp -148.32 158.64 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.581 1.152 . . . . 0.0 112.538 -171.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.05 102.3 14.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.97 0.908 . . . . 0.0 108.746 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.96 -36.47 83.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.64 0.776 . . . . 0.0 112.346 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.57 -41.52 98.39 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.065 0.946 . . . . 0.0 111.324 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -49.09 74.44 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.602 -0.687 . . . . 0.0 110.934 173.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.4 t -57.02 -43.23 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.313 0.96 . . . . 0.0 111.296 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -58.22 -47.99 81.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.745 0.818 . . . . 0.0 111.506 171.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -61.19 -44.39 97.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.083 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -57.16 -43.82 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 121.279 1.854 . . . . 0.0 111.469 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 t -52.66 -53.0 53.21 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.409 0.684 . . . . 0.0 112.18 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.34 23.2 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -77.12 -48.18 18.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.974 1.309 . . . . 0.0 112.119 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -90.42 -13.51 34.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.462 1.105 . . . . 0.0 113.76 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 71.67 70.19 0.16 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.955 2.102 . . . . 0.0 111.133 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.99 -174.16 4.56 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.684 1.594 . . . . 0.0 111.176 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -102.51 148.07 25.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.587 1.155 . . . . 0.0 111.051 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.53 -37.82 70.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.711 0.804 . . . . 0.0 110.797 176.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -64.66 -39.9 94.48 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.271 1.028 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -78.56 -34.16 47.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.305 0.957 . . . . 0.0 112.1 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.42 -46.18 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.626 0.648 . . . . 0.0 110.296 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.6 mmm -59.45 -44.49 92.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.721 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -47.11 -60.67 2.31 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 112.869 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -61.44 -32.72 72.7 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.729 -1.232 . . . . 0.0 113.342 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.1 mt -78.09 -25.08 47.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.427 1.091 . . . . 0.0 111.94 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -86.91 -32.62 20.08 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.603 1.161 . . . . 0.0 111.139 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.2 m -68.35 -32.07 71.9 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.698 1.199 . . . . 0.0 111.691 169.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.96 28.29 10.17 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.043 1.306 . . . . 0.0 113.803 169.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -102.78 107.76 55.69 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.265 1.026 . . . . 0.0 110.378 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.37 -8.53 13.87 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.423 2.749 . . . . 0.0 113.447 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -97.04 -9.46 28.08 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.415 1.086 . . . . 0.0 112.53 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.01 143.88 57.09 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.587 1.155 . . . . 0.0 111.57 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -50.6 -38.48 45.86 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -77.88 -31.33 51.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.044 0.838 . . . . 0.0 111.924 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.23 -37.51 61.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.347 0.659 . . . . 0.0 111.974 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -60.36 -46.16 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.412 1.085 . . . . 0.0 109.934 170.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.93 -48.09 79.1 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.746 . . . . 0.0 111.872 171.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -54.87 -46.16 74.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.012 0.925 . . . . 0.0 112.912 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -63.34 -48.5 77.72 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.343 -0.848 . . . . 0.0 112.498 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.37 -38.26 90.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.357 1.063 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.84 -33.22 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.348 1.059 . . . . 0.0 111.152 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.49 -40.31 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.807 1.185 . . . . 0.0 110.647 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.82 -45.02 96.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.112 0.869 . . . . 0.0 111.422 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.66 -47.59 85.56 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.354 -0.841 . . . . 0.0 111.772 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 ttt-85 -59.78 -41.1 90.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.582 1.553 . . . . 0.0 113.189 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.3 tpt85 -94.66 -38.12 10.98 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -171.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mt -116.08 -24.12 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.673 1.189 . . . . 0.0 112.503 -170.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.8 ttm 95.93 -23.83 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 130.139 3.376 . . . . 0.0 111.423 -171.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 73.57 -51.46 0.7 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 128.905 2.882 . . . . 0.0 113.285 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -144.16 160.99 39.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.361 1.864 . . . . 0.0 110.262 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 68.29 10.41 7.83 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.643 1.977 . . . . 0.0 115.13 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 p -76.12 -13.57 60.2 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.843 1.257 . . . . 0.0 114.336 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--O 1.255 1.362 0 C-N-CA 127.331 2.253 . . . . 0.0 113.187 -179.125 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 CA-C-O 119.546 -0.585 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.04 166.11 29.85 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.249 3.3 . . . . 0.0 112.149 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -71.48 -20.8 62.03 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.2 ptp -158.3 157.98 33.51 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.128 1.771 . . . . 0.0 111.964 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -82.35 5.04 21.56 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -171.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -147.2 170.23 17.67 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.863 1.665 . . . . 0.0 113.435 -171.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -164.96 163.45 20.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.154 1.782 . . . . 0.0 111.857 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.62 -17.53 38.37 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -78.88 -26.94 43.91 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.469 1.107 . . . . 0.0 113.469 -175.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -42.97 134.86 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.925 2.09 . . . . 0.0 113.977 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.2 tt -80.76 159.79 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.708 1.203 . . . . 0.0 112.749 -175.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -105.66 118.65 37.12 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.597 -0.69 . . . . 0.0 111.144 169.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -60.54 -29.77 69.35 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.952 0.901 . . . . 0.0 112.721 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.25 -41.84 72.99 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.043 0.838 . . . . 0.0 111.134 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.72 78.85 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.951 172.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.52 -50.32 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.235 0.925 . . . . 0.0 111.284 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -59.59 -39.63 84.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.797 0.726 . . . . 0.0 112.435 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -67.35 -39.65 85.78 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.625 -0.703 . . . . 0.0 111.936 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.9 t -59.0 -43.91 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 111.203 172.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.9 m -58.18 -39.54 79.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.207 0.912 . . . . 0.0 112.483 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -72.89 -53.8 10.4 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.331 1.053 . . . . 0.0 111.877 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -63.57 -48.27 78.13 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.294 1.437 . . . . 0.0 112.539 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -96.26 -6.97 36.75 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.894 1.678 . . . . 0.0 114.013 -169.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 69.0 24.61 6.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.649 1.979 . . . . 0.0 113.986 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.8 p -104.49 -177.48 3.38 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.533 1.933 . . . . 0.0 112.803 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -106.67 156.87 18.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.318 1.847 . . . . 0.0 111.063 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.6 -45.73 66.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.308 1.043 . . . . 0.0 111.005 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -58.07 -29.79 65.69 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.16 -37.65 53.36 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.778 0.717 . . . . 0.0 110.96 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.19 -43.91 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.116 0.566 . . . . 0.0 110.289 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mmt -57.86 -47.82 81.58 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.739 1.216 . . . . 0.0 111.791 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -52.1 -56.05 16.93 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.577 0.751 . . . . 0.0 112.474 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -70.11 -13.69 62.32 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.18 -20.91 19.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.692 1.197 . . . . 0.0 112.715 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -111.05 -36.74 5.56 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.728 1.211 . . . . 0.0 114.116 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.9 m -131.92 -18.88 2.64 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.99 -131.36 4.05 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.163 0.887 . . . . 0.0 111.238 170.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -145.55 141.85 17.4 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.645 1.178 . . . . 0.0 111.135 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -53.35 -17.53 9.09 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 124.693 3.595 . . . . 0.0 117.128 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -84.03 -9.9 58.28 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.598 1.159 . . . . 0.0 112.623 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 148.66 50.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.478 1.111 . . . . 0.0 112.323 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -50.05 -42.46 49.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.369 1.468 . . . . 0.0 113.523 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.79 -32.93 71.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.242 0.928 . . . . 0.0 112.267 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.01 -36.48 35.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.607 0.763 . . . . 0.0 112.567 173.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.44 -42.73 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.182 0.993 . . . . 0.0 110.549 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.58 63.39 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.032 0.933 . . . . 0.0 111.287 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -56.64 -47.27 80.1 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.341 1.056 . . . . 0.0 113.245 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -63.2 -47.87 80.71 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.967 0.803 . . . . 0.0 112.24 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -37.13 85.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.065 0.946 . . . . 0.0 112.335 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mt -72.55 -35.78 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.722 0.809 . . . . 0.0 111.854 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -64.5 -42.05 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.63 1.105 . . . . 0.0 111.128 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -59.69 -48.36 81.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.417 1.008 . . . . 0.0 112.104 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.02 -45.58 90.34 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.191 -0.943 . . . . 0.0 111.294 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -59.47 -43.81 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 113.246 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -90.8 -32.51 16.07 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.2 mm -92.92 -39.61 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.353 0.978 . . . . 0.0 112.454 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 tpt -131.74 58.35 1.74 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.043 1.337 . . . . 0.0 111.501 -170.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -60.35 -16.02 31.17 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -74.4 -12.15 60.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.781 1.232 . . . . 0.0 113.462 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.67 113.89 1.82 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.323 0.965 . . . . 0.0 110.854 176.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.7 m -112.89 7.37 18.28 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.107 1.763 . . . . 0.0 111.857 179.379 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.107 0 CA-C-O 119.382 -0.677 . . . . 0.0 112.733 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.71 148.01 70.75 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.809 3.006 . . . . 0.0 111.829 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -166.83 176.34 7.14 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.472 1.509 . . . . 0.0 111.064 -173.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -52.8 108.67 0.33 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.941 1.697 . . . . 0.0 111.802 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 m -142.04 -26.43 0.65 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -169.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -155.49 154.96 32.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.638 1.175 . . . . 0.0 112.645 -170.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -53.26 -37.91 62.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.848 1.659 . . . . 0.0 114.78 -171.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.73 -23.01 49.5 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.33 -27.02 13.41 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.934 1.294 . . . . 0.0 114.171 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.5 m -65.48 151.03 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 119.168 0.895 . . . . 0.0 112.629 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -82.59 153.97 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.655 1.182 . . . . 0.0 111.175 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -93.16 112.08 23.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.493 -0.755 . . . . 0.0 110.483 169.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.6 -31.09 67.73 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.092 0.957 . . . . 0.0 112.292 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.21 -38.81 68.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.366 0.53 . . . . 0.0 111.656 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.83 -45.25 78.84 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.61 -0.681 . . . . 0.0 110.915 173.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -56.41 -46.14 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.388 0.995 . . . . 0.0 110.89 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -61.99 -41.65 98.27 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.568 0.747 . . . . 0.0 112.496 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -65.92 -46.31 78.74 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.633 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.522 HG22 HD12 ' A' ' 50' ' ' ILE . 64.8 t -56.21 -39.21 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.582 1.153 . . . . 0.0 111.273 177.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.03 -37.0 68.62 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.09 -54.69 4.47 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.078 0.951 . . . . 0.0 111.523 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.67 -42.44 95.39 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.464 1.906 . . . . 0.0 113.221 -173.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -98.12 -7.97 28.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.488 1.515 . . . . 0.0 114.047 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 69.66 24.95 5.32 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.472 1.909 . . . . 0.0 114.402 170.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 p -103.22 -178.86 3.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.041 1.736 . . . . 0.0 112.375 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -86.85 151.58 23.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.957 0.903 . . . . 0.0 109.946 169.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.55 -45.62 91.28 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.529 0.732 . . . . 0.0 111.306 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -58.93 -31.49 68.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.922 0.889 . . . . 0.0 112.788 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -72.51 -30.33 64.39 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.657 -0.652 . . . . 0.0 112.135 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -64.99 -49.39 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.791 0.723 . . . . 0.0 109.469 172.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.4 mtp -61.51 -42.85 99.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.59 0.756 . . . . 0.0 111.708 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -52.62 -56.34 16.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.24 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.2 m -65.72 -16.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.1 mt -94.91 -23.33 17.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.076 1.35 . . . . 0.0 112.384 176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -101.97 -37.91 8.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.95 1.3 . . . . 0.0 113.323 -174.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.9 p -141.83 -11.68 0.88 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -173.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.2 -130.3 3.0 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-N 119.167 0.894 . . . . 0.0 111.099 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -140.93 138.52 18.2 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.479 1.112 . . . . 0.0 111.435 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.41 -18.35 14.51 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 124.505 3.47 . . . . 0.0 116.887 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -89.6 -3.86 58.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.243 1.017 . . . . 0.0 112.995 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.38 147.93 52.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.228 1.011 . . . . 0.0 112.04 170.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -50.99 -38.75 53.05 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.97 -36.83 69.94 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.899 0.88 . . . . 0.0 112.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.16 -36.44 64.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.365 0.666 . . . . 0.0 112.026 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.97 0.908 . . . . 0.0 110.832 173.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.33 71.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.242 0.928 . . . . 0.0 111.625 170.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -56.8 -45.8 82.01 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 113.192 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -64.06 -45.42 88.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.28 0.946 . . . . 0.0 112.559 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.93 -38.13 87.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.522 HD12 HG22 ' A' ' 19' ' ' VAL . 63.4 mt -74.28 -34.81 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.144 0.978 . . . . 0.0 111.575 178.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.2 -40.16 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.354 0.979 . . . . 0.0 110.991 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -62.56 -42.88 99.82 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.444 1.475 . . . . 0.0 112.389 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.74 -51.87 67.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.335 0.97 . . . . 0.0 110.918 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -58.81 -41.61 87.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.694 1.998 . . . . 0.0 113.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -79.11 -43.77 23.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.81 1.644 . . . . 0.0 113.188 -176.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -87.43 -62.18 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.147 0.979 . . . . 0.0 110.893 -173.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -175.61 128.19 0.25 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.738 1.615 . . . . 0.0 109.881 -171.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -76.76 63.0 2.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.894 0.877 . . . . 0.0 113.019 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -70.21 145.46 51.4 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.692 1.197 . . . . 0.0 110.426 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.98 165.31 34.35 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.618 1.567 . . . . 0.0 111.564 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.0 p -80.37 161.52 24.96 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.581 1.152 . . . . 0.0 113.211 175.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.839 1.656 . . . . 0.0 112.241 -178.448 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 CA-C-O 119.551 -0.583 . . . . 0.0 112.996 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.16 162.05 37.33 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 124.278 3.319 . . . . 0.0 112.061 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -79.43 0.25 30.13 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.5 tpp -152.69 136.13 15.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.375 1.87 . . . . 0.0 110.69 -176.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 p -84.33 -23.87 30.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.49 1.116 . . . . 0.0 113.579 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -68.45 136.06 52.65 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.443 1.097 . . . . 0.0 112.319 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -170.07 153.98 4.88 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 127.08 2.152 . . . . 0.0 109.853 -175.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.2 -32.0 22.29 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.655 1.182 . . . . 0.0 113.926 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -68.32 -21.62 64.75 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.5 t -91.65 80.55 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.581 1.552 . . . . 0.0 108.255 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -73.41 163.34 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.39 1.076 . . . . 0.0 112.566 -171.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -136.09 125.08 24.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.258 0.623 . . . . 0.0 110.907 169.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.09 -35.5 69.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.676 1.19 . . . . 0.0 112.21 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.96 -40.36 75.46 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.919 0.781 . . . . 0.0 111.768 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.23 25.05 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.865 -0.522 . . . . 0.0 111.244 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.8 -48.87 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.069 0.947 . . . . 0.0 110.49 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -70.41 -22.61 62.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -81.06 -32.76 33.86 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.55 171.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.95 -35.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 120.884 1.675 . . . . 0.0 111.372 170.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 m -54.78 -33.98 62.1 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.957 0.903 . . . . 0.0 113.107 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.29 -53.62 4.02 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.011 1.325 . . . . 0.0 111.586 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -59.72 -40.91 89.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.598 1.159 . . . . 0.0 112.795 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.28 -1.71 18.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.475 1.51 . . . . 0.0 113.885 -171.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 64.54 29.63 13.13 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.008 1.723 . . . . 0.0 113.541 175.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.72 -163.4 0.99 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.276 1.431 . . . . 0.0 112.029 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -128.24 149.04 50.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.962 1.705 . . . . 0.0 110.904 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.62 -44.42 81.16 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.673 0.789 . . . . 0.0 110.905 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.4 m -61.27 -35.09 76.33 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.374 -0.829 . . . . 0.0 112.993 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -77.96 -39.38 42.73 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.728 -0.608 . . . . 0.0 110.892 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.4 -41.65 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.812 0.845 . . . . 0.0 111.395 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -61.64 -39.88 92.93 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 117.846 -1.073 . . . . 0.0 112.373 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -51.33 -55.83 16.29 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 120.522 1.51 . . . . 0.0 113.539 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 m -61.54 -29.99 70.36 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.754 -1.216 . . . . 0.0 113.028 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.18 -23.4 30.58 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.22 1.408 . . . . 0.0 112.12 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -80.14 -33.75 38.27 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.755 1.222 . . . . 0.0 110.547 169.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -69.29 -32.32 71.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.585 1.154 . . . . 0.0 110.961 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.53 22.83 27.91 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.607 1.575 . . . . 0.0 113.813 169.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -99.87 112.24 63.44 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 118.262 1.031 . . . . 0.0 111.328 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.66 -7.44 17.64 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.628 2.886 . . . . 0.0 113.717 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -88.96 -17.46 29.46 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.217 0.917 . . . . 0.0 112.69 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.22 146.25 53.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.891 1.277 . . . . 0.0 112.114 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -56.71 -37.11 70.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.737 0.815 . . . . 0.0 113.082 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.55 -33.03 64.5 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.229 0.922 . . . . 0.0 111.976 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.02 -39.6 69.06 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.195 0.598 . . . . 0.0 111.782 171.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -58.57 -43.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.877 0.871 . . . . 0.0 110.586 170.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.17 82.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.441 1.019 . . . . 0.0 112.379 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.95 68.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.19 0.996 . . . . 0.0 111.909 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -64.17 -48.64 75.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.274 0.63 . . . . 0.0 111.725 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.27 -37.61 86.15 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.78 1.232 . . . . 0.0 112.173 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.86 -40.68 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.608 -0.682 . . . . 0.0 111.253 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.83 -39.84 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 119.442 1.019 . . . . 0.0 111.232 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -60.92 -45.96 92.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.277 0.944 . . . . 0.0 112.02 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -63.45 -43.32 97.72 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.491 -0.756 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.55 -37.29 87.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.896 1.678 . . . . 0.0 112.904 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -80.64 -53.42 6.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.261 1.424 . . . . 0.0 112.911 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.5 mm -95.67 -41.89 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.288 1.035 . . . . 0.0 113.336 -169.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.8 mtt -108.26 34.87 3.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.694 1.598 . . . . 0.0 112.169 -170.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.32 -20.79 65.81 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -169.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -160.61 135.3 7.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.25 1.42 . . . . 0.0 110.958 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.66 78.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.738 0.815 . . . . 0.0 112.591 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m 70.39 8.66 6.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.189 1.796 . . . . 0.0 114.876 169.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.693 1.997 . . . . 0.0 112.134 -178.829 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.48 164.82 33.1 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.253 3.302 . . . . 0.0 111.956 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -77.85 -2.68 37.77 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 59.13 -19.56 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 130.855 3.662 . . . . 0.0 117.778 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -78.74 2.79 18.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.06 1.744 . . . . 0.0 114.207 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.37 149.04 35.06 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.799 1.24 . . . . 0.0 114.189 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -152.1 148.57 27.82 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.161 1.784 . . . . 0.0 110.265 169.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.66 -25.71 67.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -115.01 -39.53 3.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.925 1.29 . . . . 0.0 113.088 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.3 t 77.32 115.42 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 129.029 2.932 . . . . 0.0 110.863 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 tt -147.67 158.95 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 125.544 1.537 . . . . 0.0 111.192 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -109.64 113.68 26.66 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.283 0.633 . . . . 0.0 109.53 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -61.14 -24.26 66.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.538 0.735 . . . . 0.0 112.841 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -75.18 -39.79 59.97 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.849 0.75 . . . . 0.0 111.552 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.12 87.61 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.224 -0.922 . . . . 0.0 111.198 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.37 -46.44 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.184 0.994 . . . . 0.0 110.919 172.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -59.13 -47.32 85.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.177 0.991 . . . . 0.0 111.855 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.75 -55.22 24.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.944 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.41 -29.91 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 120.387 1.448 . . . . 0.0 113.285 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -55.02 -43.19 73.47 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.573 0.624 . . . . 0.0 112.02 172.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.59 -50.09 5.57 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.449 1.1 . . . . 0.0 111.472 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -62.29 -43.02 99.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.096 1.358 . . . . 0.0 111.879 -173.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -92.44 -10.62 37.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.631 1.172 . . . . 0.0 114.085 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 66.51 77.29 0.28 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.885 2.074 . . . . 0.0 111.923 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 t -149.23 -148.61 0.27 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.403 1.481 . . . . 0.0 111.104 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -133.4 148.07 51.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.013 1.725 . . . . 0.0 110.57 175.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.24 -39.69 83.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.354 0.662 . . . . 0.0 110.934 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -62.56 -41.3 98.83 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.524 -0.735 . . . . 0.0 112.611 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -74.88 -39.12 61.68 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.556 0.616 . . . . 0.0 111.371 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 t -56.43 -51.48 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.863 0.865 . . . . 0.0 110.981 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 97.8 mtp -66.48 -34.66 78.43 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.409 0.683 . . . . 0.0 111.931 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -59.38 -47.83 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.643 1.11 . . . . 0.0 111.657 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.5 m -64.83 -16.27 62.89 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 120.212 1.369 . . . . 0.0 114.266 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.09 -15.84 20.8 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.732 1.213 . . . . 0.0 113.095 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -110.66 -50.2 2.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.225 1.41 . . . . 0.0 112.401 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.4 m -89.61 -32.77 16.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.59 1.556 . . . . 0.0 112.124 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -95.5 -157.78 32.27 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.219 1.39 . . . . 0.0 112.837 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.13 168.29 11.69 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 125.579 1.552 . . . . 0.0 111.797 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -59.85 20.93 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 1.009 1 C-N-CA 126.533 4.822 . . . . 0.0 118.44 -177.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -109.84 -16.43 13.88 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.588 1.555 . . . . 0.0 111.814 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.82 140.17 53.25 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.928 0.891 . . . . 0.0 110.877 169.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -49.85 -38.18 34.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.803 1.241 . . . . 0.0 114.108 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 mt -74.88 -37.08 62.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.263 0.938 . . . . 0.0 111.854 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.37 -36.94 68.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.72 0.808 . . . . 0.0 111.85 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.15 -50.66 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.73 1.212 . . . . 0.0 110.205 170.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.6 -46.05 84.53 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.981 0.81 . . . . 0.0 111.969 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -56.01 -47.47 77.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.513 1.125 . . . . 0.0 112.263 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -62.86 -45.16 93.88 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.273 -0.892 . . . . 0.0 112.634 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.0 -38.16 87.57 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.172 1.389 . . . . 0.0 111.972 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mt -71.01 -35.14 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.051 0.94 . . . . 0.0 111.547 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 mt -64.56 -42.21 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.544 1.065 . . . . 0.0 111.273 169.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.67 -41.95 91.8 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.366 0.984 . . . . 0.0 111.966 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.61 -56.07 23.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.274 0.63 . . . . 0.0 111.18 172.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -54.46 -33.67 60.05 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.908 2.083 . . . . 0.0 113.776 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -82.21 -56.78 3.71 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 112.367 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mt -94.97 -59.34 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.858 0.863 . . . . 0.0 111.69 -170.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.3 mmt -65.91 -31.58 72.59 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.299 0.5 . . . . 0.0 112.132 -170.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -56.59 -30.59 63.37 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.136 1.774 . . . . 0.0 113.477 170.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -98.21 -35.75 10.26 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.351 1.06 . . . . 0.0 112.08 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.75 -32.65 62.15 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.2 t -89.69 156.44 18.55 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.362 1.065 . . . . 0.0 112.93 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.568 1.947 . . . . 0.0 112.428 -177.771 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.033 0 CA-C-O 119.323 -0.709 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.53 134.98 64.64 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 124.308 3.339 . . . . 0.0 112.536 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.45 -8.21 59.41 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.0 tpp -157.4 147.98 21.15 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.409 1.884 . . . . 0.0 110.634 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -176.92 153.5 1.03 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.593 2.757 . . . . 0.0 109.443 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -155.21 150.59 27.17 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.22 1.008 . . . . 0.0 113.04 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -92.78 155.77 17.45 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.157 1.383 . . . . 0.0 111.371 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.83 -28.79 16.88 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.637 1.175 . . . . 0.0 113.824 176.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -67.39 -16.92 64.51 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 174.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.2 t -77.53 123.55 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 171.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.18 159.95 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.604 0.761 . . . . 0.0 112.638 -169.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -126.21 127.49 45.75 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.983 1.313 . . . . 0.0 109.439 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.93 -32.49 67.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.935 0.894 . . . . 0.0 112.473 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.68 -41.28 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.131 0.572 . . . . 0.0 111.519 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.2 -47.9 77.97 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.519 175.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.25 -41.21 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.14 0.882 . . . . 0.0 111.136 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.32 -44.26 96.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.126 0.875 . . . . 0.0 111.661 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -64.67 -43.31 93.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.531 0.732 . . . . 0.0 111.696 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.12 -43.18 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.027 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.0 t -58.66 -44.0 90.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.427 0.691 . . . . 0.0 111.755 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.41 -53.89 20.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.372 1.069 . . . . 0.0 112.211 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -65.32 -45.18 85.32 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.927 1.291 . . . . 0.0 113.151 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -97.89 -7.88 29.35 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.882 1.273 . . . . 0.0 114.031 -171.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 65.56 26.24 11.68 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.999 1.719 . . . . 0.0 113.809 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.19 154.08 31.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.432 1.893 . . . . 0.0 110.526 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.9 p -69.38 153.14 44.04 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.039 0.836 . . . . 0.0 112.009 -174.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -53.77 -41.3 67.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.15 0.98 . . . . 0.0 110.754 171.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 p -63.3 -34.55 77.94 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.035 0.934 . . . . 0.0 113.346 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -78.35 -39.5 39.21 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.094 0.861 . . . . 0.0 110.74 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.04 -42.57 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.708 0.803 . . . . 0.0 111.308 174.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.73 -37.74 88.63 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.669 172.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -54.31 -56.17 21.12 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 120.122 1.328 . . . . 0.0 113.079 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -60.83 -28.18 68.62 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.95 -1.094 . . . . 0.0 112.993 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.67 -25.06 31.04 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.05 1.34 . . . . 0.0 112.167 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -78.35 -39.64 38.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.938 1.295 . . . . 0.0 110.914 170.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 t -63.52 -36.27 83.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.708 0.803 . . . . 0.0 110.935 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.38 25.04 17.1 Favored Glycine 0 N--CA 1.469 0.897 0 C-N-CA 125.11 1.338 . . . . 0.0 114.05 169.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -98.81 111.18 59.89 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.182 0.993 . . . . 0.0 111.267 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.18 -6.41 17.22 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.455 2.77 . . . . 0.0 113.585 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -90.16 -15.93 30.53 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.167 0.894 . . . . 0.0 112.227 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.27 144.85 49.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.73 1.212 . . . . 0.0 112.119 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.06 -36.1 38.13 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.59 -30.07 41.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.105 0.866 . . . . 0.0 111.915 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.33 -38.82 65.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.408 0.683 . . . . 0.0 111.683 169.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.1 -46.76 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.164 0.986 . . . . 0.0 110.082 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -49.47 75.74 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.132 0.878 . . . . 0.0 112.093 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -47.84 63.12 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.742 1.217 . . . . 0.0 112.624 172.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -63.49 -49.99 71.43 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.459 -0.776 . . . . 0.0 112.291 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.26 -34.18 77.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.305 1.442 . . . . 0.0 112.557 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.1 mt -82.69 -33.53 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.144 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.73 -40.16 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.003 1.274 . . . . 0.0 110.237 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.39 -48.28 79.48 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.926 0.89 . . . . 0.0 111.754 170.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -59.17 -48.59 81.06 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.281 -0.887 . . . . 0.0 111.722 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.97 -43.1 99.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.961 1.704 . . . . 0.0 113.983 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 tpt85 -99.82 -35.1 9.89 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.155 0.982 . . . . 0.0 113.632 -170.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.4 -21.06 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.07 1.348 . . . . 0.0 111.796 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 61.14 26.63 16.51 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.138 1.375 . . . . 0.0 110.891 -172.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 66.7 -30.0 0.14 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 129.339 3.056 . . . . 0.0 114.801 -173.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -162.01 142.58 10.41 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.553 1.941 . . . . 0.0 110.086 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.85 -15.99 58.63 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -174.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -164.3 176.61 8.98 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.715 2.006 . . . . 0.0 110.198 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.577 1.551 . . . . 0.0 114.728 -179.86 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.867 0 CA-C-O 119.309 -0.717 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -59.23 156.54 34.54 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.778 3.652 . . . . 0.0 113.745 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -79.03 148.0 32.65 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.715 0.806 . . . . 0.0 112.507 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt -80.92 159.05 25.06 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.977 0.911 . . . . 0.0 112.102 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -78.27 27.7 0.19 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.387 1.475 . . . . 0.0 113.963 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -55.71 -35.31 65.96 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.529 -1.357 . . . . 0.0 112.587 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -60.85 -25.48 66.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.322 1.449 . . . . 0.0 113.992 176.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.67 -34.29 16.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.565 1.146 . . . . 0.0 112.115 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -81.04 -30.55 34.8 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.81 139.95 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.619 1.168 . . . . 0.0 112.335 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 tt -145.6 151.2 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.745 1.618 . . . . 0.0 110.872 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -92.76 102.53 14.93 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.547 0.739 . . . . 0.0 109.971 171.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.71 -30.97 71.99 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.875 0.87 . . . . 0.0 112.816 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.58 -42.31 87.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.4 0.68 . . . . 0.0 111.185 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -63.87 -50.83 67.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.988 0.515 . . . . 0.0 110.69 175.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -51.26 -52.19 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.955 1.302 . . . . 0.0 111.033 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.3 -43.74 88.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.22 1.008 . . . . 0.0 112.497 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -64.94 -38.3 90.5 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.585 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 15' ' ' ALA . 4.0 t -56.17 -32.39 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 120.849 1.659 . . . . 0.0 112.024 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.21 -28.56 69.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -93.12 -50.67 5.4 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.589 1.156 . . . . 0.0 111.67 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -70.41 -48.13 57.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.998 1.319 . . . . 0.0 112.454 -173.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -96.09 -13.36 23.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 67.04 19.76 10.48 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.001 1.721 . . . . 0.0 114.48 173.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.76 144.83 37.63 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.312 1.845 . . . . 0.0 108.693 169.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -67.49 147.43 52.83 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.041 0.837 . . . . 0.0 112.924 -168.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -36.06 62.59 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.871 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 m -64.81 -38.16 90.06 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.813 1.645 . . . . 0.0 113.126 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.85 -39.49 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.701 0.682 . . . . 0.0 110.941 172.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.197 0.999 . . . . 0.0 111.425 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.1 mtm -63.62 -35.8 81.73 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.483 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.44 -53.1 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.469 1.486 . . . . 0.0 112.56 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 -30.48 70.69 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.776 -1.203 . . . . 0.0 112.855 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -82.52 -22.01 35.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 0.0 111.919 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -84.24 -33.65 24.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.184 1.394 . . . . 0.0 110.945 170.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 m -68.23 -32.63 72.97 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.712 1.205 . . . . 0.0 111.44 169.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.59 24.2 18.98 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 125.279 1.418 . . . . 0.0 114.276 169.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -103.47 110.13 63.2 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 118.355 1.077 . . . . 0.0 111.399 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.02 -6.92 16.15 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.549 2.833 . . . . 0.0 113.607 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -88.99 -15.62 33.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.937 0.895 . . . . 0.0 112.23 -173.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.58 143.21 57.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.072 1.349 . . . . 0.0 112.096 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -54.0 -35.65 62.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.264 1.025 . . . . 0.0 113.239 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.3 mt -80.69 -30.77 36.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.439 1.018 . . . . 0.0 112.512 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.43 77.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.096 0.558 . . . . 0.0 111.214 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.43 -48.76 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.747 1.219 . . . . 0.0 110.471 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.7 68.24 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.682 1.128 . . . . 0.0 111.944 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.25 -47.31 75.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.477 1.111 . . . . 0.0 112.795 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.49 -48.62 80.27 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.127 -0.983 . . . . 0.0 112.208 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.06 -40.8 86.29 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.033 1.333 . . . . 0.0 111.561 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.0 mt -69.57 -33.37 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.945 0.898 . . . . 0.0 111.766 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.64 -44.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.617 1.098 . . . . 0.0 110.701 169.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.34 -46.14 89.45 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.118 0.872 . . . . 0.0 111.422 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.343 -0.848 . . . . 0.0 112.19 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttt-85 -61.46 -38.21 86.39 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.569 1.148 . . . . 0.0 112.757 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -75.6 -48.01 24.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.465 1.106 . . . . 0.0 113.201 174.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.8 mt -86.18 -63.55 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.266 1.027 . . . . 0.0 111.599 -171.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mmm -178.91 141.53 0.19 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.759 2.424 . . . . 0.0 110.645 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -76.94 -8.92 58.24 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -169.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -159.55 154.91 25.45 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.208 1.803 . . . . 0.0 110.39 -175.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.39 58.58 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -174.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 t -165.34 167.41 17.82 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.652 1.981 . . . . 0.0 110.22 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.292 1.437 . . . . 0.0 113.579 -179.101 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.988 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.679 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.99 133.57 33.95 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.691 2.927 . . . . 0.0 111.267 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -87.84 -18.15 29.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.62 146.43 29.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.212 1.405 . . . . 0.0 112.601 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -113.25 9.39 18.36 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.789 1.236 . . . . 0.0 113.252 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -153.62 153.96 33.32 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.254 1.421 . . . . 0.0 112.659 -173.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -150.2 139.49 21.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.454 1.901 . . . . 0.0 110.272 170.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.51 -21.77 26.76 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -81.19 -35.44 31.36 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.89 140.24 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 118.98 0.809 . . . . 0.0 111.011 170.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 tt -147.06 177.12 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 125.172 1.389 . . . . 0.0 111.472 -170.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -120.84 114.23 21.3 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -60.63 -29.24 69.13 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.892 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -74.37 -37.04 63.58 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.485 0.584 . . . . 0.0 112.229 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.57 -45.18 84.29 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.501 -0.749 . . . . 0.0 110.776 169.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.36 -44.02 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.426 1.012 . . . . 0.0 111.59 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -63.15 -40.4 97.47 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.085 0.954 . . . . 0.0 112.392 173.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.09 -40.49 78.39 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.149 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.546 HG22 HD12 ' A' ' 50' ' ' ILE . 95.4 t -58.04 -40.98 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.354 1.433 . . . . 0.0 110.875 174.26 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.04 -34.13 67.91 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.17 -55.6 3.85 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.237 1.015 . . . . 0.0 112.218 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -61.75 -45.21 94.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.72 1.608 . . . . 0.0 112.275 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -97.83 -10.05 25.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.369 1.468 . . . . 0.0 114.181 -172.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 67.1 26.0 8.98 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.182 1.793 . . . . 0.0 114.1 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.8 p -102.69 177.17 4.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.051 1.74 . . . . 0.0 111.662 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.0 p -81.89 159.05 23.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.567 0.747 . . . . 0.0 110.091 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.98 -43.97 97.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.107 0.563 . . . . 0.0 111.083 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -63.06 -26.75 68.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.199 -0.938 . . . . 0.0 113.226 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.68 -33.64 76.09 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.075 0.852 . . . . 0.0 111.827 171.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 t -68.21 -45.16 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.594 -0.691 . . . . 0.0 110.129 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.4 -44.44 97.14 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.74 0.816 . . . . 0.0 112.244 173.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -51.08 -58.27 6.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.025 0.93 . . . . 0.0 112.246 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -67.72 -16.28 64.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.07 -29.0 22.22 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.847 0.859 . . . . 0.0 112.264 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -103.91 -39.03 6.76 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.4 p -130.08 -16.42 3.62 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.972 1.309 . . . . 0.0 114.267 -173.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.77 -131.63 3.58 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.184 0.897 . . . . 0.0 111.144 169.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -142.44 140.57 19.08 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.701 1.2 . . . . 0.0 111.065 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.17 -14.39 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.363 3.375 . . . . 0.0 116.955 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -85.65 -8.28 58.32 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.526 1.13 . . . . 0.0 112.876 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.15 150.8 47.9 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.968 1.307 . . . . 0.0 112.636 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.95 -40.5 57.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.075 1.35 . . . . 0.0 113.668 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.8 -35.62 72.62 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.155 0.889 . . . . 0.0 112.292 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.22 -36.99 58.31 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.524 0.729 . . . . 0.0 112.14 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.02 -41.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.238 1.015 . . . . 0.0 110.88 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.81 71.8 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.998 0.919 . . . . 0.0 111.805 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.33 -48.57 71.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.164 0.586 . . . . 0.0 112.091 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -60.57 -48.04 83.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.139 0.881 . . . . 0.0 111.99 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.14 -34.3 77.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.357 1.063 . . . . 0.0 112.613 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 19' ' ' VAL . 51.7 mt -77.35 -35.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.212 1.005 . . . . 0.0 111.773 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.38 -46.17 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.497 -0.752 . . . . 0.0 109.58 169.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.35 -44.34 96.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.433 0.693 . . . . 0.0 111.962 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.12 -55.5 30.44 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.956 0.798 . . . . 0.0 110.71 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtp-105 -61.06 -53.2 60.1 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.523 1.129 . . . . 0.0 113.316 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -86.0 -35.18 20.55 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -169.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.7 mm -105.94 -32.02 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.219 1.008 . . . . 0.0 113.017 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.3 ttt 113.41 -39.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 131.332 3.853 . . . . 0.0 109.921 -172.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -168.39 163.97 12.78 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.513 2.325 . . . . 0.0 110.553 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -68.85 -27.76 66.11 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.5 -0.75 . . . . 0.0 112.998 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.79 165.75 27.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.96 1.304 . . . . 0.0 112.586 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.4 p -81.47 161.14 23.78 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.552 1.141 . . . . 0.0 113.14 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.256 1.436 0 C-N-CA 124.936 1.295 . . . . 0.0 113.236 176.79 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 CA--C 1.536 0.409 0 CA-C-O 121.499 0.666 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.0 -30.5 71.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.393 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -43.14 87.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.129 0.972 . . . . 0.0 111.179 170.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.48 81.81 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.627 -0.67 . . . . 0.0 111.229 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.18 -47.82 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-N 118.606 0.639 . . . . 0.0 110.711 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.1 -44.16 95.05 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.716 0.807 . . . . 0.0 112.399 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.73 -40.9 97.89 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.531 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.78 -44.02 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.0 1.273 . . . . 0.0 110.564 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.86 -43.33 81.08 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.005 0.821 . . . . 0.0 112.991 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.43 -35.12 25.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -79.36 -42.85 24.69 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.295 0.952 . . . . 0.0 112.257 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -83.06 -22.99 33.35 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.563 1.545 . . . . 0.0 112.994 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.66 71.6 0.17 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.033 2.133 . . . . 0.0 111.039 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.9 p -157.86 179.67 8.98 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.736 . . . . 0.0 112.227 -172.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.1 p -102.76 155.07 18.57 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.516 1.526 . . . . 0.0 111.757 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -56.12 -42.76 77.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.418 0.687 . . . . 0.0 111.002 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -59.29 -33.65 71.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.857 0.863 . . . . 0.0 112.916 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.74 -42.64 67.02 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.591 0.632 . . . . 0.0 110.717 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.76 -48.45 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.088 0.555 . . . . 0.0 110.675 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 88.8 mtp -64.65 -37.58 88.05 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.239 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -53.41 -54.91 30.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.858 1.208 . . . . 0.0 112.212 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.1 m -67.94 -16.86 64.26 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.27 -22.71 21.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.606 1.162 . . . . 0.0 112.449 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.4 t80 . . . . . 0 N--CA 1.474 0.764 0 C-N-CA 124.709 1.204 . . . . 0.0 113.747 -171.354 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.01 147.2 51.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.155 0.982 . . . . 0.0 111.851 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -55.67 -34.83 65.35 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.31 -34.94 73.31 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.785 1.175 . . . . 0.0 112.36 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.01 -36.23 41.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.511 0.724 . . . . 0.0 112.139 174.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.95 -43.28 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.079 0.951 . . . . 0.0 110.094 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.89 77.79 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.261 0.937 . . . . 0.0 111.799 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.23 -45.43 79.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.869 0.868 . . . . 0.0 112.584 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -62.09 -49.91 74.04 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.253 -0.904 . . . . 0.0 112.457 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.43 -34.09 77.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.631 1.172 . . . . 0.0 112.343 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.73 -32.11 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.896 0.878 . . . . 0.0 111.397 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.92 -35.92 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.556 1.071 . . . . 0.0 111.195 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.92 -44.94 91.4 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.737 -1.227 . . . . 0.0 111.809 169.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.77 -56.01 27.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.086 0.954 . . . . 0.0 111.162 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -54.45 -35.64 63.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.776 2.431 . . . . 0.0 113.965 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 124.102 0.961 . . . . 0.0 112.776 175.508 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t0 . . . . . 0 N--CA 1.473 0.693 0 CA-C-O 121.04 0.448 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.06 -32.02 65.8 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.203 1.001 . . . . 0.0 112.888 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.51 -42.43 61.81 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.927 0.891 . . . . 0.0 111.719 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.37 -47.85 84.28 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.748 -0.595 . . . . 0.0 110.439 171.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.3 -38.51 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.572 0.624 . . . . 0.0 111.462 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.38 89.21 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.356 0.663 . . . . 0.0 111.669 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.34 -47.18 74.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.544 0.738 . . . . 0.0 111.758 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 15' ' ' ALA . 59.1 t -58.76 -42.64 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.461 1.028 . . . . 0.0 111.844 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -54.09 -44.87 71.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.864 0.865 . . . . 0.0 112.036 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.86 -53.0 7.99 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.248 1.019 . . . . 0.0 112.279 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -58.8 -46.97 86.36 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.601 1.16 . . . . 0.0 112.763 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -5.62 45.17 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.662 1.185 . . . . 0.0 113.964 -171.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 64.84 29.49 12.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.203 1.801 . . . . 0.0 113.198 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -151.72 0.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 127.097 2.159 . . . . 0.0 111.264 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.3 p -133.01 148.38 52.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.566 1.546 . . . . 0.0 111.143 174.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.22 -46.13 79.64 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.837 0.855 . . . . 0.0 111.167 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -62.2 -34.15 75.9 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.473 0.709 . . . . 0.0 112.628 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.37 -36.99 60.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.314 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.67 -43.24 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 118.5 0.591 . . . . 0.0 110.508 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 99.2 mtp -64.94 -39.42 93.47 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.874 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.12 -51.5 66.24 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.118 1.326 . . . . 0.0 113.54 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -63.54 -23.78 67.53 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.136 -0.977 . . . . 0.0 113.239 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -94.12 -16.54 23.66 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.766 1.626 . . . . 0.0 111.767 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.557 1.543 . . . . 0.0 110.414 169.268 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.6 145.37 54.0 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.13 -35.04 69.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.674 0.789 . . . . 0.0 112.97 -176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.7 mt -78.1 -31.21 49.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.596 1.089 . . . . 0.0 112.536 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.2 76.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.547 0.739 . . . . 0.0 111.494 169.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.78 -46.08 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 110.861 171.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.01 69.11 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.964 0.906 . . . . 0.0 111.714 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.97 -47.4 68.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.707 1.203 . . . . 0.0 112.893 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -61.83 -52.26 64.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.941 0.791 . . . . 0.0 112.0 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.43 -37.36 83.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.938 1.295 . . . . 0.0 112.441 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.53 -32.42 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.722 0.809 . . . . 0.0 111.228 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.26 -39.46 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.738 1.154 . . . . 0.0 110.812 169.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.48 -44.22 93.1 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.529 1.059 . . . . 0.0 111.375 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.87 -50.08 74.86 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.381 -0.824 . . . . 0.0 111.977 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -57.93 -39.47 78.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.507 1.523 . . . . 0.0 113.04 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 . . . . . 0 N--CA 1.474 0.748 0 C-N-CA 124.708 1.203 . . . . 0.0 113.671 -179.44 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 N--CA 1.47 0.569 0 CA-C-O 121.302 0.573 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -57.29 -31.3 65.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.62 1.168 . . . . 0.0 112.76 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -70.81 -46.23 63.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.837 0.744 . . . . 0.0 111.275 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.45 82.9 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.891 -0.506 . . . . 0.0 110.984 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 t -53.95 -49.0 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.068 0.849 . . . . 0.0 111.425 173.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -59.92 -40.14 87.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.156 0.982 . . . . 0.0 112.454 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -65.97 -37.73 86.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.432 1.015 . . . . 0.0 112.176 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.5 t -60.46 -43.21 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.101 1.319 . . . . 0.0 110.727 170.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.12 -39.95 83.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.318 0.508 . . . . 0.0 112.081 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.75 -55.14 8.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.623 1.169 . . . . 0.0 112.8 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.64 -46.52 53.59 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.354 -0.841 . . . . 0.0 112.789 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -88.08 -9.87 51.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.991 1.316 . . . . 0.0 114.238 -172.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 65.2 25.04 12.33 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.992 1.717 . . . . 0.0 114.139 171.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -115.6 156.19 26.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.299 1.839 . . . . 0.0 110.153 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -70.4 140.77 52.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.634 1.106 . . . . 0.0 111.833 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -36.44 74.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.001 0.92 . . . . 0.0 111.825 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -62.5 -36.06 81.36 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.181 1.392 . . . . 0.0 112.514 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -75.72 -36.87 59.85 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.543 1.065 . . . . 0.0 110.976 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -56.66 -48.86 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.945 0.498 . . . . 0.0 110.499 171.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.97 -41.67 99.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.402 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -55.36 -50.11 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.559 1.072 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.3 m -62.32 -23.84 66.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.002 1.273 . . . . 0.0 114.028 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.51 -21.89 22.7 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.695 1.198 . . . . 0.0 112.769 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.1 t80 . . . . . 0 CA--C 1.544 0.733 0 C-N-CA 124.563 1.145 . . . . 0.0 113.729 -172.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 112.524 0.565 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.66 145.43 54.63 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.567 1.147 . . . . 0.0 111.724 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -53.14 -35.77 60.08 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.715 1.206 . . . . 0.0 113.074 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.4 mt -76.41 -31.8 58.15 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.87 1.214 . . . . 0.0 112.671 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.6 62.85 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.312 0.645 . . . . 0.0 111.85 172.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.77 -43.98 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.259 1.024 . . . . 0.0 110.588 169.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.04 78.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.926 0.785 . . . . 0.0 111.586 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.45 -46.45 83.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.224 0.92 . . . . 0.0 112.894 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -57.85 -47.92 81.3 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.132 0.878 . . . . 0.0 112.219 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.24 -37.13 86.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.512 1.125 . . . . 0.0 112.156 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -76.91 -32.37 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.052 0.941 . . . . 0.0 112.303 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -61.59 -41.95 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.297 0.953 . . . . 0.0 109.064 168.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -66.22 -40.23 90.16 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.741 0.701 . . . . 0.0 112.666 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.4 -55.42 35.08 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.229 -0.919 . . . . 0.0 110.381 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -56.52 -35.83 68.51 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.882 2.073 . . . . 0.0 113.85 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 . . . . . 0 N--CA 1.472 0.665 0 C-N-CA 124.733 1.213 . . . . 0.0 113.746 179.117 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.538 0.485 0 CA-C-O 121.689 0.757 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.8 -37.19 75.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.149 1.38 . . . . 0.0 112.958 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -67.3 -41.09 85.96 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.09 0.556 . . . . 0.0 111.675 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.97 79.57 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.381 -0.825 . . . . 0.0 110.897 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -60.44 -32.51 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.304 1.842 . . . . 0.0 112.771 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -86.13 -37.64 18.57 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.316 0.962 . . . . 0.0 112.998 173.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.24 -39.6 68.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.018 0.826 . . . . 0.0 112.696 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -51.28 -34.2 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.892 1.277 . . . . 0.0 113.868 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.06 -40.27 88.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.741 0.816 . . . . 0.0 112.085 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -83.12 -52.82 6.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.127 0.971 . . . . 0.0 111.18 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.67 98.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.42 1.488 . . . . 0.0 112.34 -172.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -102.08 -4.84 25.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.198 1.399 . . . . 0.0 113.799 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 65.66 26.63 11.47 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.089 1.756 . . . . 0.0 113.646 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.93 -157.24 0.6 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.605 1.962 . . . . 0.0 111.986 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.19 144.94 49.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.267 1.027 . . . . 0.0 111.656 172.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -50.98 -48.05 61.29 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.094 1.358 . . . . 0.0 110.638 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.17 -39.84 83.74 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -79.3 -31.13 43.19 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.96 0.8 . . . . 0.0 112.046 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.57 -51.28 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.466 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.23 -45.61 93.83 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.936 0.494 . . . . 0.0 111.131 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -55.76 -45.68 78.05 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.398 -0.814 . . . . 0.0 111.903 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -62.95 -27.44 69.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.915 -1.116 . . . . 0.0 113.284 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -84.23 -21.74 31.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.142 0.977 . . . . 0.0 112.492 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 . . . . . 0 CA--C 1.544 0.717 0 C-N-CA 124.238 1.015 . . . . 0.0 113.653 -173.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.94 149.55 44.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.685 1.194 . . . . 0.0 111.724 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -50.6 -36.07 33.25 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.339 1.056 . . . . 0.0 113.191 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -72.38 -40.02 67.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.223 0.92 . . . . 0.0 112.015 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.62 74.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.488 0.715 . . . . 0.0 111.886 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.0 t -64.51 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.305 1.042 . . . . 0.0 111.176 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.53 73.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.775 1.17 . . . . 0.0 111.925 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -53.43 -47.67 69.44 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.159 0.984 . . . . 0.0 112.262 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.48 -44.81 95.5 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.171 -0.956 . . . . 0.0 112.939 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.99 -34.91 79.57 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.461 1.104 . . . . 0.0 112.203 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.51 -37.0 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.821 0.848 . . . . 0.0 111.359 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.87 -45.04 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.285 0.948 . . . . 0.0 110.536 169.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.01 -39.96 95.28 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.366 0.985 . . . . 0.0 112.641 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.5 -49.77 75.41 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.85 0.86 . . . . 0.0 111.05 172.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.65 -36.94 74.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.541 1.537 . . . . 0.0 113.176 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 . . . . . 0 CA--C 1.542 0.67 0 C-N-CA 126.221 1.808 . . . . 0.0 113.165 179.314 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t0 . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 120.97 0.414 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.85 -38.74 76.21 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.912 174.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.22 -38.52 89.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.942 0.792 . . . . 0.0 111.349 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 -53.83 42.5 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.807 -0.558 . . . . 0.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.94 -39.85 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.523 -0.736 . . . . 0.0 111.903 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -62.28 -45.77 91.8 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.076 0.95 . . . . 0.0 112.151 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -62.81 -39.52 94.52 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 118.131 -0.937 . . . . 0.0 112.418 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.18 -48.82 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.281 1.401 . . . . 0.0 110.483 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.82 -48.38 67.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.766 0.826 . . . . 0.0 111.896 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -70.09 -56.78 6.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.628 1.171 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.45 -42.15 65.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.777 1.231 . . . . 0.0 112.794 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -84.96 -15.2 45.12 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.377 1.071 . . . . 0.0 112.776 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 66.43 55.92 0.8 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.175 1.79 . . . . 0.0 112.254 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.6 m -145.05 170.82 15.44 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.553 1.941 . . . . 0.0 111.207 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -75.48 146.59 40.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.63 0.772 . . . . 0.0 111.764 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.17 -42.17 94.41 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.511 0.725 . . . . 0.0 110.691 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 p -55.81 -34.61 65.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.393 1.077 . . . . 0.0 113.115 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.02 -23.85 44.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.08 0.855 . . . . 0.0 112.543 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.0 -46.84 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.79 0.723 . . . . 0.0 109.175 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.0 mmm -62.25 -48.24 80.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -57.45 -45.31 84.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.742 0.701 . . . . 0.0 111.586 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 m -61.18 -22.2 64.51 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.33 -18.91 18.86 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.809 1.244 . . . . 0.0 112.886 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 N--CA 1.476 0.844 0 C-N-CA 124.482 1.113 . . . . 0.0 112.921 177.589 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 . . . . . 0 CA--C 1.544 0.742 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.27 141.98 57.83 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 110.647 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -35.5 45.59 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.61 -32.2 41.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.204 0.911 . . . . 0.0 113.063 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.23 71.8 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.655 0.661 . . . . 0.0 111.389 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.29 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 110.223 169.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.06 82.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.753 1.161 . . . . 0.0 112.308 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.44 -45.13 72.99 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.6 -0.687 . . . . 0.0 112.141 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -59.64 -46.91 87.58 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.078 0.854 . . . . 0.0 112.513 173.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.55 -38.87 92.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.214 0.915 . . . . 0.0 112.777 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.85 -41.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 119.292 0.951 . . . . 0.0 111.728 173.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.61 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.586 0.754 . . . . 0.0 110.499 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.536 1.134 . . . . 0.0 112.289 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.1 -55.98 28.02 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.673 0.789 . . . . 0.0 110.901 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -59.02 -44.74 91.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.988 0.915 . . . . 0.0 112.664 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 . . . . . 0 N--CA 1.471 0.601 0 C-N-CA 124.35 1.06 . . . . 0.0 113.744 -177.121 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 CA--C 1.539 0.549 0 CA-C-O 121.729 0.776 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.09 -37.9 84.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.555 1.142 . . . . 0.0 112.264 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.8 -43.86 97.68 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.635 0.774 . . . . 0.0 111.198 173.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.68 72.75 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.698 -0.626 . . . . 0.0 110.89 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.77 -42.18 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.826 0.739 . . . . 0.0 111.51 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.69 -45.44 93.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.63 0.772 . . . . 0.0 111.859 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.78 -39.59 94.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.118 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.72 -43.25 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.838 1.653 . . . . 0.0 111.409 173.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -56.4 -45.26 80.7 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.457 0.703 . . . . 0.0 111.245 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.77 -54.07 18.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.268 1.027 . . . . 0.0 112.464 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -66.94 -48.97 66.97 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.635 1.574 . . . . 0.0 112.86 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -93.79 -10.67 33.37 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 114.353 -169.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 69.97 24.85 5.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.37 1.868 . . . . 0.0 114.135 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -103.47 -178.2 3.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.98 1.312 . . . . 0.0 110.903 170.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -92.57 150.72 20.56 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.369 -0.832 . . . . 0.0 111.236 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -56.51 -39.23 72.95 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.088 0.555 . . . . 0.0 110.913 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 p -65.26 -37.92 88.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.769 0.828 . . . . 0.0 113.143 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -75.67 -36.29 60.16 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.287 0.949 . . . . 0.0 111.26 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.99 -46.73 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.892 0.477 . . . . 0.0 110.799 171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.8 mtt -61.14 -37.19 81.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.117 -0.944 . . . . 0.0 112.518 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -54.26 -54.62 37.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.341 1.428 . . . . 0.0 112.729 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -65.1 -23.42 67.15 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.204 -0.935 . . . . 0.0 113.342 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.12 -22.32 27.15 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.067 1.347 . . . . 0.0 111.576 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.9 t80 . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 125.582 1.553 . . . . 0.0 111.261 173.169 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 112.411 0.523 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.67 142.09 53.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.835 1.254 . . . . 0.0 111.842 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.03 -34.48 65.89 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -75.25 -33.7 61.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.633 1.106 . . . . 0.0 111.881 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.7 66.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.311 0.645 . . . . 0.0 111.91 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.39 -49.47 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.029 0.932 . . . . 0.0 109.828 170.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.05 74.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.693 0.797 . . . . 0.0 111.783 174.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -57.61 -48.44 79.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.852 0.751 . . . . 0.0 113.002 173.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -60.94 -44.38 97.34 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.671 1.123 . . . . 0.0 112.515 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.39 -40.64 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.749 1.22 . . . . 0.0 112.061 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -77.41 -31.97 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.072 0.949 . . . . 0.0 111.976 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.623 1.101 . . . . 0.0 109.563 169.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.99 -42.4 99.1 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.607 0.64 . . . . 0.0 111.993 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.68 -56.98 15.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.955 0.502 . . . . 0.0 110.76 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -52.05 -38.84 58.43 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.109 1.763 . . . . 0.0 113.173 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.037 1.335 . . . . 0.0 113.393 -178.682 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 CA--C 1.536 0.409 0 CA-C-O 121.541 0.686 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.16 -35.58 75.65 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.127 0.971 . . . . 0.0 112.639 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.85 -39.73 87.69 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.107 0.963 . . . . 0.0 111.625 174.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.1 76.98 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.443 -0.785 . . . . 0.0 111.546 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.53 -42.64 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.387 1.075 . . . . 0.0 111.139 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.13 -47.36 83.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.847 0.859 . . . . 0.0 111.58 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.39 -47.88 71.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 117.906 -1.045 . . . . 0.0 113.296 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.9 -31.64 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 120.693 1.588 . . . . 0.0 113.051 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.31 -37.05 69.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.291 1.036 . . . . 0.0 112.059 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -91.72 -52.39 4.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.021 1.328 . . . . 0.0 111.063 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -53.45 -46.78 69.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.622 1.569 . . . . 0.0 112.352 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -101.85 -4.64 25.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.025 1.33 . . . . 0.0 114.152 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 63.41 30.42 15.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.755 1.622 . . . . 0.0 113.369 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.72 -148.87 0.39 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.385 1.874 . . . . 0.0 111.727 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -131.07 148.06 52.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.605 1.162 . . . . 0.0 110.959 170.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -55.65 -42.24 74.76 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.787 0.835 . . . . 0.0 110.168 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -60.07 -42.14 93.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.392 1.077 . . . . 0.0 112.75 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -80.01 -30.12 39.54 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.139 0.881 . . . . 0.0 112.191 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.91 -49.74 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.928 -0.483 . . . . 0.0 110.088 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtm -62.17 -40.88 97.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.764 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -52.21 -56.45 14.57 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.122 0.874 . . . . 0.0 110.84 172.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -61.87 -21.61 64.83 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -87.47 -25.38 23.76 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.735 0.814 . . . . 0.0 113.133 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 N--CA 1.475 0.775 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -174.795 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 CA--C 1.545 0.774 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.1 145.84 55.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.477 1.111 . . . . 0.0 111.546 169.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -47.82 -38.64 16.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.043 1.337 . . . . 0.0 114.188 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -76.21 -37.22 58.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.39 0.995 . . . . 0.0 112.14 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.58 73.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.305 0.642 . . . . 0.0 111.402 171.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -57.55 -46.18 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.256 1.023 . . . . 0.0 110.999 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.21 75.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.502 1.046 . . . . 0.0 112.272 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.39 -47.21 76.21 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.07 0.948 . . . . 0.0 112.36 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.55 -42.65 95.56 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.101 -0.999 . . . . 0.0 113.321 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.48 -36.62 84.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.602 1.161 . . . . 0.0 111.96 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.84 -32.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.473 0.709 . . . . 0.0 111.489 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -68.9 -35.94 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.328 0.967 . . . . 0.0 111.541 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.42 -45.08 89.07 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.664 -1.272 . . . . 0.0 111.97 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.11 -54.3 48.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.119 0.967 . . . . 0.0 111.229 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -54.91 -36.33 65.09 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.386 2.275 . . . . 0.0 113.921 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 . . . . . 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 0.0 113.194 176.709 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.6 -21.81 63.07 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -84.21 -40.59 17.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.351 0.66 . . . . 0.0 112.443 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.83 83.67 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.245 -0.909 . . . . 0.0 111.172 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.78 -31.51 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.665 1.186 . . . . 0.0 111.517 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.34 -49.26 51.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.186 -0.946 . . . . 0.0 111.121 169.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.33 -45.31 76.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.48 HG11 HG11 ' A' ' 30' ' ' VAL . 8.7 p -54.76 -24.37 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.027 1.331 . . . . 0.0 113.517 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -65.42 -43.18 91.32 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 118.451 0.569 . . . . 0.0 112.14 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -91.29 -32.77 15.6 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.667 0.787 . . . . 0.0 112.831 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -71.59 -39.61 70.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.079 1.352 . . . . 0.0 112.156 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.81 -2.97 19.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.141 1.377 . . . . 0.0 114.535 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 64.71 28.22 13.06 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.69 1.596 . . . . 0.0 113.911 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.3 m -118.07 159.7 22.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.507 1.923 . . . . 0.0 110.39 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 p -76.37 152.1 36.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 120.604 -1.31 . . . . 0.0 111.584 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -56.41 -44.68 80.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.087 0.555 . . . . 0.0 110.347 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.9 p -66.15 -27.39 67.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.59 -42.64 70.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.238 0.926 . . . . 0.0 110.552 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.48 HG11 HG11 ' A' ' 19' ' ' VAL . 60.9 t -70.03 -37.56 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.841 -0.537 . . . . 0.0 111.776 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -41.8 77.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.522 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -57.39 -48.18 79.75 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.717 1.144 . . . . 0.0 112.586 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 m -69.65 -12.33 61.55 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -97.7 -16.17 20.05 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.109 1.364 . . . . 0.0 112.314 172.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 t80 . . . . . 0 CA--C 1.542 0.672 0 C-N-CA 126.707 2.003 . . . . 0.0 112.996 -178.191 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 . . . . . 0 CA--C 1.545 0.781 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.05 150.41 42.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.677 1.191 . . . . 0.0 110.912 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -48.58 -36.55 15.84 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.99 -36.74 40.84 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.994 0.815 . . . . 0.0 112.098 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.61 84.31 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.991 0.516 . . . . 0.0 111.363 171.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.53 -43.97 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.729 1.212 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.56 71.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.791 1.178 . . . . 0.0 111.874 173.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -54.13 -48.91 70.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.136 0.574 . . . . 0.0 111.779 171.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.51 -46.08 91.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.167 -0.958 . . . . 0.0 112.387 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.8 -36.1 82.05 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.581 1.152 . . . . 0.0 111.692 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.01 -37.46 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.592 0.757 . . . . 0.0 111.438 175.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.3 mm -61.69 -42.53 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.987 0.915 . . . . 0.0 110.939 169.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.85 -46.1 89.48 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.977 0.808 . . . . 0.0 111.315 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -57.32 -55.33 36.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.207 -0.933 . . . . 0.0 110.899 172.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -55.28 -51.23 67.34 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.538 1.935 . . . . 0.0 114.096 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 . . . . . 0 N--CA 1.476 0.841 0 C-N-CA 124.231 1.012 . . . . 0.0 113.602 -170.469 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.48 -30.86 68.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.721 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -68.89 -44.57 72.95 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.23 0.612 . . . . 0.0 111.184 174.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.89 -44.4 85.41 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.398 -0.814 . . . . 0.0 111.375 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -57.37 -45.0 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.164 0.893 . . . . 0.0 111.27 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.36 -46.1 86.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.145 0.978 . . . . 0.0 111.995 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.99 -47.77 76.33 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.635 -0.698 . . . . 0.0 112.099 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.498 HG22 HD12 ' A' ' 50' ' ' ILE . 87.2 t -55.02 -38.1 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.961 1.304 . . . . 0.0 111.079 176.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.1 t -59.83 -34.95 73.75 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.16 -52.36 5.1 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.805 0.842 . . . . 0.0 111.657 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.44 -39.85 94.62 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.851 1.661 . . . . 0.0 112.956 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -103.46 -3.54 25.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.257 1.423 . . . . 0.0 113.964 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 63.79 26.93 14.53 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.82 1.648 . . . . 0.0 114.097 170.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.5 m -111.64 164.75 12.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.278 1.831 . . . . 0.0 111.592 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -77.26 150.78 35.31 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.157 -0.964 . . . . 0.0 110.705 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -55.5 -44.39 76.52 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.512 0.725 . . . . 0.0 111.079 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -58.95 -29.17 66.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.701 1.2 . . . . 0.0 113.386 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.91 -34.79 66.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.184 0.902 . . . . 0.0 111.415 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.54 -39.63 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.087 0.555 . . . . 0.0 110.237 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.8 mtt -65.9 -47.18 75.66 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.67 0.788 . . . . 0.0 111.841 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -50.42 -56.05 13.15 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.526 1.13 . . . . 0.0 112.796 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 m -68.82 -14.42 63.02 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -95.44 -22.36 17.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.57 1.148 . . . . 0.0 112.545 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 113.183 -176.409 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 . . . . . 0 CA--C 1.546 0.82 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.46 151.07 48.02 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.822 1.249 . . . . 0.0 112.488 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -52.26 -37.77 56.33 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.762 1.225 . . . . 0.0 114.019 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mt -71.64 -37.4 70.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.428 1.013 . . . . 0.0 112.242 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.95 68.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.095 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.73 -44.83 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.53 1.132 . . . . 0.0 110.711 171.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.23 -50.29 71.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.684 1.129 . . . . 0.0 111.755 172.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.02 -49.97 65.2 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.302 0.641 . . . . 0.0 112.306 172.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.27 -47.12 87.46 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.047 0.84 . . . . 0.0 112.24 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -32.57 74.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.778 1.231 . . . . 0.0 112.405 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.498 HD12 HG22 ' A' ' 19' ' ' VAL . 73.9 mt -79.84 -34.81 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.763 0.825 . . . . 0.0 111.424 177.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.26 -44.98 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.954 0.901 . . . . 0.0 109.404 169.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.35 -44.49 91.3 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.906 0.775 . . . . 0.0 111.909 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -57.19 -44.23 83.41 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.723 0.692 . . . . 0.0 110.955 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -64.42 -45.43 87.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.698 1.999 . . . . 0.0 113.148 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? . . . . . 0 N--CA 1.474 0.737 0 C-N-CA 124.937 1.295 . . . . 0.0 113.433 -172.273 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t0 . . . . . 0 C--O 1.238 0.489 0 CA-C-O 121.67 0.748 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.65 -31.18 66.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.02 0.928 . . . . 0.0 112.271 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.61 -40.6 63.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.85 0.75 . . . . 0.0 112.031 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -52.35 65.45 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 172.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.54 -37.46 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.58 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -57.01 -50.43 72.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.46 -51.46 69.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.594 0.634 . . . . 0.0 111.238 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.83 -42.64 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.462 1.028 . . . . 0.0 111.991 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -53.51 -51.28 63.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.955 0.902 . . . . 0.0 112.482 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.58 -29.69 16.79 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.9 -43.49 68.2 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.137 -0.977 . . . . 0.0 111.853 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -93.64 -14.85 25.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.501 1.12 . . . . 0.0 113.733 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.69 71.51 0.17 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.929 2.092 . . . . 0.0 111.583 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.8 t -145.51 -146.58 0.19 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.894 1.678 . . . . 0.0 110.974 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.4 p -134.31 149.73 50.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.249 1.82 . . . . 0.0 110.575 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.01 -43.04 73.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 111.291 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -62.67 -43.0 99.92 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.782 0.833 . . . . 0.0 112.539 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.87 -38.88 76.54 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.973 0.806 . . . . 0.0 111.403 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.01 -46.97 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 122.945 0.498 . . . . 0.0 110.945 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtt -61.33 -41.23 96.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.299 0.64 . . . . 0.0 112.133 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -56.31 -52.36 64.83 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.301 0.955 . . . . 0.0 111.796 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -63.59 -19.88 65.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.588 1.54 . . . . 0.0 114.263 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.9 -24.94 24.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.939 . . . . 0.0 112.664 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.2 t80 . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -174.341 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.605 0.594 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.9 148.97 50.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.504 1.121 . . . . 0.0 112.201 172.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -54.05 -35.0 61.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.479 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -74.24 -32.74 63.09 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.055 1.298 . . . . 0.0 112.572 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -36.76 58.31 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.342 0.657 . . . . 0.0 111.934 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.69 -44.94 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.121 0.968 . . . . 0.0 110.249 169.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.01 72.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.797 0.839 . . . . 0.0 111.522 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -52.92 -47.58 67.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.986 0.914 . . . . 0.0 113.109 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -61.44 -50.18 73.84 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.417 -0.802 . . . . 0.0 112.603 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.77 -39.44 91.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.854 1.261 . . . . 0.0 112.345 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.58 -31.83 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.954 0.902 . . . . 0.0 111.078 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.81 -41.25 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.509 1.049 . . . . 0.0 110.745 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.9 -41.23 95.67 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.336 0.971 . . . . 0.0 112.08 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.62 -56.35 20.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.5 0.72 . . . . 0.0 110.886 170.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.23 -39.2 56.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.511 1.524 . . . . 0.0 113.148 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 125.449 1.499 . . . . 0.0 113.842 -178.566 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 N--CA 1.469 0.494 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.39 -32.93 73.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.165 0.986 . . . . 0.0 112.331 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.51 -39.63 94.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.608 0.763 . . . . 0.0 111.495 171.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.66 86.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.889 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.29 -46.38 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 119.434 1.016 . . . . 0.0 110.429 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -59.35 -43.87 92.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.647 0.779 . . . . 0.0 111.657 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -61.79 -42.26 98.77 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.179 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.77 -43.3 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.85 1.659 . . . . 0.0 111.498 173.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.66 -52.55 59.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.449 0.568 . . . . 0.0 112.452 176.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.61 -35.8 29.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -84.82 -44.21 13.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.135 0.974 . . . . 0.0 112.079 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -84.55 -12.9 53.24 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 67.54 70.97 0.35 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.365 1.866 . . . . 0.0 111.326 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -160.33 172.57 17.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.443 1.897 . . . . 0.0 110.237 -171.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.1 p -91.85 148.75 21.99 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 120.42 1.464 . . . . 0.0 112.067 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.79 -36.68 72.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.341 0.657 . . . . 0.0 111.183 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -63.59 -40.62 97.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.825 0.85 . . . . 0.0 112.532 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.34 -41.31 80.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.755 -0.591 . . . . 0.0 111.143 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.46 -48.55 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.375 0.67 . . . . 0.0 111.107 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 81.1 mmm -63.69 -35.39 80.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 117.963 -1.018 . . . . 0.0 113.411 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -51.37 -57.59 8.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.138 1.336 . . . . 0.0 112.402 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 m -63.94 -26.22 68.49 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.208 -0.933 . . . . 0.0 113.216 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -83.49 -22.37 32.53 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.261 1.424 . . . . 0.0 111.659 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.3 t80 . . . . . 0 CA--C 1.54 0.594 0 C-N-CA 125.419 1.488 . . . . 0.0 110.952 172.406 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -68.32 143.36 55.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.715 1.206 . . . . 0.0 112.019 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.48 -33.51 68.07 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.77 -27.85 40.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.945 1.248 . . . . 0.0 112.554 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.76 -37.58 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.905 0.775 . . . . 0.0 111.564 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.81 -49.97 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.546 1.139 . . . . 0.0 109.671 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.79 -47.84 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 171.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -58.37 -44.82 89.02 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.83 0.852 . . . . 0.0 113.164 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -61.85 -52.35 64.51 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.4 -0.813 . . . . 0.0 111.369 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.81 -33.89 72.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.253 1.421 . . . . 0.0 111.985 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.2 mt -78.39 -31.16 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.38 1.072 . . . . 0.0 112.238 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.0 -39.97 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.075 1.307 . . . . 0.0 109.689 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.45 -44.77 92.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.613 0.642 . . . . 0.0 111.127 171.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -57.01 -57.24 13.43 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.756 1.162 . . . . 0.0 111.452 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -53.7 -38.42 64.23 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.231 2.212 . . . . 0.0 114.541 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.898 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' N ' ' HH ' ' A' ' 47' ' ' TYR . 6.3 t70 . . . . . 0 C--O 1.241 0.624 0 CA-C-O 121.245 0.545 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.68 -34.41 75.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.692 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -71.26 -37.41 71.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.113 0.869 . . . . 0.0 112.911 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.45 -49.21 69.98 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.012 0.823 . . . . 0.0 111.179 171.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.26 -44.85 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.68 0.673 . . . . 0.0 111.551 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -61.12 -42.86 99.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.297 1.039 . . . . 0.0 112.777 172.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.07 -53.75 53.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.376 173.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.521 HG22 HD12 ' A' ' 50' ' ' ILE . 84.2 t -52.15 -37.46 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 CA-C-N 119.663 1.119 . . . . 0.0 111.913 -174.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -51.39 -51.67 52.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.957 0.903 . . . . 0.0 112.876 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.48 -33.58 13.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.76 -41.24 62.73 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.924 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -99.2 -14.32 19.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.805 1.242 . . . . 0.0 114.002 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 70.81 74.63 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.654 1.982 . . . . 0.0 111.042 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -155.55 -177.95 6.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.931 1.692 . . . . 0.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -93.01 141.6 28.22 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.92 91.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.388 0.614 . . . . 0.0 112.516 -169.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.0 m -61.72 -28.64 69.56 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.73 1.212 . . . . 0.0 112.829 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -71.36 -30.45 66.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.399 -0.813 . . . . 0.0 112.047 173.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -66.32 -46.73 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.914 0.886 . . . . 0.0 109.516 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -59.55 -45.85 90.59 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.6 0.76 . . . . 0.0 110.84 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -55.04 -51.82 65.1 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.63 0.772 . . . . 0.0 112.339 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.7 p -69.23 -15.52 63.39 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.93 -23.79 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.289 1.035 . . . . 0.0 112.116 172.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 t80 . . . . . 0 CA--C 1.541 0.603 0 C-N-CA 124.901 1.281 . . . . 0.0 113.311 -175.426 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.12 146.74 42.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 112.276 170.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.56 -37.47 70.6 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.792 0.837 . . . . 0.0 113.176 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.25 -37.27 61.08 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.418 1.008 . . . . 0.0 111.422 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.75 -42.65 90.68 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.825 -0.547 . . . . 0.0 111.648 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.27 -44.98 93.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.627 1.171 . . . . 0.0 110.817 171.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.13 80.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.742 1.155 . . . . 0.0 112.136 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HH ' ' N ' ' A' ' 12' ' ' ASP . 37.9 t80 -55.22 -49.06 72.94 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.765 1.226 . . . . 0.0 111.905 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -62.03 -46.03 90.96 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.63 -0.669 . . . . 0.0 112.664 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.37 -35.53 80.71 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.33 1.052 . . . . 0.0 112.737 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 19' ' ' VAL . 38.1 mt -72.58 -38.36 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.152 0.981 . . . . 0.0 111.23 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.57 -43.11 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.727 0.694 . . . . 0.0 110.68 171.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.11 -52.13 66.66 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.414 0.686 . . . . 0.0 111.677 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.2 -40.56 96.49 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.011 -1.056 . . . . 0.0 112.189 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -59.67 -40.76 88.88 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.152 0.887 . . . . 0.0 112.706 171.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 124.218 1.007 . . . . 0.0 113.318 179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 CA--C 1.54 0.58 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.96 -36.47 83.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.64 0.776 . . . . 0.0 112.346 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.57 -41.52 98.39 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.065 0.946 . . . . 0.0 111.324 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -49.09 74.44 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.602 -0.687 . . . . 0.0 110.934 173.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.4 t -57.02 -43.23 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.313 0.96 . . . . 0.0 111.296 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -58.22 -47.99 81.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.745 0.818 . . . . 0.0 111.506 171.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -61.19 -44.39 97.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.083 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -57.16 -43.82 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 121.279 1.854 . . . . 0.0 111.469 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 t -52.66 -53.0 53.21 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.409 0.684 . . . . 0.0 112.18 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.34 23.2 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -77.12 -48.18 18.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.974 1.309 . . . . 0.0 112.119 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -90.42 -13.51 34.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.462 1.105 . . . . 0.0 113.76 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 71.67 70.19 0.16 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.955 2.102 . . . . 0.0 111.133 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.99 -174.16 4.56 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.684 1.594 . . . . 0.0 111.176 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -102.51 148.07 25.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.587 1.155 . . . . 0.0 111.051 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.53 -37.82 70.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.711 0.804 . . . . 0.0 110.797 176.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -64.66 -39.9 94.48 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.271 1.028 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -78.56 -34.16 47.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.305 0.957 . . . . 0.0 112.1 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.42 -46.18 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.626 0.648 . . . . 0.0 110.296 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.6 mmm -59.45 -44.49 92.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.721 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -47.11 -60.67 2.31 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 112.869 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -61.44 -32.72 72.7 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.729 -1.232 . . . . 0.0 113.342 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.1 mt -78.09 -25.08 47.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.427 1.091 . . . . 0.0 111.94 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 124.603 1.161 . . . . 0.0 111.139 174.626 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 . . . . . 0 CA--C 1.541 0.596 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.01 143.88 57.09 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.587 1.155 . . . . 0.0 111.57 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -50.6 -38.48 45.86 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -77.88 -31.33 51.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.044 0.838 . . . . 0.0 111.924 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.23 -37.51 61.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.347 0.659 . . . . 0.0 111.974 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -60.36 -46.16 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.412 1.085 . . . . 0.0 109.934 170.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.93 -48.09 79.1 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.746 . . . . 0.0 111.872 171.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -54.87 -46.16 74.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.012 0.925 . . . . 0.0 112.912 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -63.34 -48.5 77.72 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.343 -0.848 . . . . 0.0 112.498 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.37 -38.26 90.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.357 1.063 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.84 -33.22 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.348 1.059 . . . . 0.0 111.152 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.49 -40.31 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.807 1.185 . . . . 0.0 110.647 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.82 -45.02 96.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.112 0.869 . . . . 0.0 111.422 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.66 -47.59 85.56 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.354 -0.841 . . . . 0.0 111.772 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 ttt-85 -59.78 -41.1 90.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.582 1.553 . . . . 0.0 113.189 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.3 tpt85 . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -171.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 . . . . . 0 N--CA 1.474 0.743 0 CA-C-O 121.24 0.543 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -60.54 -29.77 69.35 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.952 0.901 . . . . 0.0 112.721 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.25 -41.84 72.99 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.043 0.838 . . . . 0.0 111.134 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.72 78.85 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.951 172.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.52 -50.32 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.235 0.925 . . . . 0.0 111.284 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -59.59 -39.63 84.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.797 0.726 . . . . 0.0 112.435 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -67.35 -39.65 85.78 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.625 -0.703 . . . . 0.0 111.936 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.9 t -59.0 -43.91 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 111.203 172.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.9 m -58.18 -39.54 79.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.207 0.912 . . . . 0.0 112.483 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -72.89 -53.8 10.4 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.331 1.053 . . . . 0.0 111.877 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -63.57 -48.27 78.13 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.294 1.437 . . . . 0.0 112.539 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -96.26 -6.97 36.75 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.894 1.678 . . . . 0.0 114.013 -169.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 69.0 24.61 6.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.649 1.979 . . . . 0.0 113.986 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.8 p -104.49 -177.48 3.38 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.533 1.933 . . . . 0.0 112.803 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -106.67 156.87 18.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.318 1.847 . . . . 0.0 111.063 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.6 -45.73 66.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.308 1.043 . . . . 0.0 111.005 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -58.07 -29.79 65.69 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.16 -37.65 53.36 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.778 0.717 . . . . 0.0 110.96 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.19 -43.91 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.116 0.566 . . . . 0.0 110.289 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mmt -57.86 -47.82 81.58 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.739 1.216 . . . . 0.0 111.791 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -52.1 -56.05 16.93 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.577 0.751 . . . . 0.0 112.474 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -70.11 -13.69 62.32 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.18 -20.91 19.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.692 1.197 . . . . 0.0 112.715 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 t80 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 124.728 1.211 . . . . 0.0 114.116 -173.552 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 148.66 50.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.478 1.111 . . . . 0.0 112.323 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -50.05 -42.46 49.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.369 1.468 . . . . 0.0 113.523 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.79 -32.93 71.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.242 0.928 . . . . 0.0 112.267 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.01 -36.48 35.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.607 0.763 . . . . 0.0 112.567 173.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.44 -42.73 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.182 0.993 . . . . 0.0 110.549 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.58 63.39 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.032 0.933 . . . . 0.0 111.287 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -56.64 -47.27 80.1 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.341 1.056 . . . . 0.0 113.245 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -63.2 -47.87 80.71 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.967 0.803 . . . . 0.0 112.24 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -37.13 85.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.065 0.946 . . . . 0.0 112.335 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mt -72.55 -35.78 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.722 0.809 . . . . 0.0 111.854 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -64.5 -42.05 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.63 1.105 . . . . 0.0 111.128 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -59.69 -48.36 81.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.417 1.008 . . . . 0.0 112.104 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.02 -45.58 90.34 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.191 -0.943 . . . . 0.0 111.294 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -59.47 -43.81 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 113.246 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -176.039 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.443 ' N ' ' HH ' ' A' ' 47' ' ' TYR . 7.9 t0 . . . . . 0 N--CA 1.471 0.619 0 CA-C-O 121.672 0.749 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.6 -31.09 67.73 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.092 0.957 . . . . 0.0 112.292 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.21 -38.81 68.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.366 0.53 . . . . 0.0 111.656 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.83 -45.25 78.84 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.61 -0.681 . . . . 0.0 110.915 173.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -56.41 -46.14 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.388 0.995 . . . . 0.0 110.89 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -61.99 -41.65 98.27 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.568 0.747 . . . . 0.0 112.496 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -65.92 -46.31 78.74 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.633 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.522 HG22 HD12 ' A' ' 50' ' ' ILE . 64.8 t -56.21 -39.21 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.582 1.153 . . . . 0.0 111.273 177.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.03 -37.0 68.62 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.09 -54.69 4.47 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.078 0.951 . . . . 0.0 111.523 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.67 -42.44 95.39 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.464 1.906 . . . . 0.0 113.221 -173.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -98.12 -7.97 28.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.488 1.515 . . . . 0.0 114.047 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 69.66 24.95 5.32 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.472 1.909 . . . . 0.0 114.402 170.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 p -103.22 -178.86 3.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.041 1.736 . . . . 0.0 112.375 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -86.85 151.58 23.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.957 0.903 . . . . 0.0 109.946 169.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.55 -45.62 91.28 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.529 0.732 . . . . 0.0 111.306 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -58.93 -31.49 68.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.922 0.889 . . . . 0.0 112.788 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -72.51 -30.33 64.39 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.657 -0.652 . . . . 0.0 112.135 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -64.99 -49.39 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.791 0.723 . . . . 0.0 109.469 172.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.4 mtp -61.51 -42.85 99.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.59 0.756 . . . . 0.0 111.708 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -52.62 -56.34 16.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.24 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.2 m -65.72 -16.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.1 mt -94.91 -23.33 17.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.076 1.35 . . . . 0.0 112.384 176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.9 t80 . . . . . 0 CA--C 1.541 0.606 0 C-N-CA 124.95 1.3 . . . . 0.0 113.323 -174.449 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 . . . . . 0 CA--C 1.544 0.744 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.38 147.93 52.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.228 1.011 . . . . 0.0 112.04 170.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -50.99 -38.75 53.05 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.97 -36.83 69.94 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.899 0.88 . . . . 0.0 112.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.16 -36.44 64.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.365 0.666 . . . . 0.0 112.026 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.97 0.908 . . . . 0.0 110.832 173.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.33 71.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.242 0.928 . . . . 0.0 111.625 170.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.443 ' HH ' ' N ' ' A' ' 12' ' ' ASP . 44.4 t80 -56.8 -45.8 82.01 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 113.192 174.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -64.06 -45.42 88.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.28 0.946 . . . . 0.0 112.559 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.93 -38.13 87.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.522 HD12 HG22 ' A' ' 19' ' ' VAL . 63.4 mt -74.28 -34.81 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.144 0.978 . . . . 0.0 111.575 178.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.2 -40.16 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.354 0.979 . . . . 0.0 110.991 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -62.56 -42.88 99.82 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.444 1.475 . . . . 0.0 112.389 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.74 -51.87 67.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.335 0.97 . . . . 0.0 110.918 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -58.81 -41.61 87.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.694 1.998 . . . . 0.0 113.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 . . . . . 0 N--CA 1.47 0.56 0 C-N-CA 125.81 1.644 . . . . 0.0 113.188 -176.266 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 N--CA 1.469 0.496 0 CA-C-O 120.776 0.322 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.09 -35.5 69.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.676 1.19 . . . . 0.0 112.21 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.96 -40.36 75.46 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.919 0.781 . . . . 0.0 111.768 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.23 25.05 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.865 -0.522 . . . . 0.0 111.244 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.8 -48.87 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.069 0.947 . . . . 0.0 110.49 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -70.41 -22.61 62.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -81.06 -32.76 33.86 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.55 171.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.95 -35.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 120.884 1.675 . . . . 0.0 111.372 170.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 m -54.78 -33.98 62.1 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.957 0.903 . . . . 0.0 113.107 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.29 -53.62 4.02 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.011 1.325 . . . . 0.0 111.586 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -59.72 -40.91 89.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.598 1.159 . . . . 0.0 112.795 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.28 -1.71 18.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.475 1.51 . . . . 0.0 113.885 -171.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 64.54 29.63 13.13 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.008 1.723 . . . . 0.0 113.541 175.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.72 -163.4 0.99 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.276 1.431 . . . . 0.0 112.029 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -128.24 149.04 50.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.962 1.705 . . . . 0.0 110.904 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.62 -44.42 81.16 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.673 0.789 . . . . 0.0 110.905 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.4 m -61.27 -35.09 76.33 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.374 -0.829 . . . . 0.0 112.993 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -77.96 -39.38 42.73 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.728 -0.608 . . . . 0.0 110.892 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.4 -41.65 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.812 0.845 . . . . 0.0 111.395 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -61.64 -39.88 92.93 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 117.846 -1.073 . . . . 0.0 112.373 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -51.33 -55.83 16.29 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 120.522 1.51 . . . . 0.0 113.539 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 m -61.54 -29.99 70.36 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.754 -1.216 . . . . 0.0 113.028 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.18 -23.4 30.58 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.22 1.408 . . . . 0.0 112.12 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 . . . . . 0 CA--C 1.539 0.552 0 C-N-CA 124.755 1.222 . . . . 0.0 110.547 169.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.22 146.25 53.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.891 1.277 . . . . 0.0 112.114 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -56.71 -37.11 70.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.737 0.815 . . . . 0.0 113.082 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.55 -33.03 64.5 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.229 0.922 . . . . 0.0 111.976 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.02 -39.6 69.06 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.195 0.598 . . . . 0.0 111.782 171.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -58.57 -43.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.877 0.871 . . . . 0.0 110.586 170.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.17 82.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.441 1.019 . . . . 0.0 112.379 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.95 68.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.19 0.996 . . . . 0.0 111.909 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -64.17 -48.64 75.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.274 0.63 . . . . 0.0 111.725 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.27 -37.61 86.15 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.78 1.232 . . . . 0.0 112.173 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.86 -40.68 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.608 -0.682 . . . . 0.0 111.253 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.83 -39.84 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 119.442 1.019 . . . . 0.0 111.232 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -60.92 -45.96 92.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.277 0.944 . . . . 0.0 112.02 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -63.45 -43.32 97.72 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.491 -0.756 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.55 -37.29 87.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.896 1.678 . . . . 0.0 112.904 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? . . . . . 0 CA--C 1.542 0.659 0 C-N-CA 125.261 1.424 . . . . 0.0 112.911 179.15 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t0 . . . . . 0 N--CA 1.47 0.573 0 CA-C-O 121.352 0.596 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -61.14 -24.26 66.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.538 0.735 . . . . 0.0 112.841 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -75.18 -39.79 59.97 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.849 0.75 . . . . 0.0 111.552 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.12 87.61 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.224 -0.922 . . . . 0.0 111.198 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.37 -46.44 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.184 0.994 . . . . 0.0 110.919 172.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -59.13 -47.32 85.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.177 0.991 . . . . 0.0 111.855 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.75 -55.22 24.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.944 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.41 -29.91 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 120.387 1.448 . . . . 0.0 113.285 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -55.02 -43.19 73.47 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.573 0.624 . . . . 0.0 112.02 172.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.59 -50.09 5.57 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.449 1.1 . . . . 0.0 111.472 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -62.29 -43.02 99.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.096 1.358 . . . . 0.0 111.879 -173.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -92.44 -10.62 37.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.631 1.172 . . . . 0.0 114.085 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 66.51 77.29 0.28 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.885 2.074 . . . . 0.0 111.923 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 t -149.23 -148.61 0.27 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.403 1.481 . . . . 0.0 111.104 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -133.4 148.07 51.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.013 1.725 . . . . 0.0 110.57 175.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.24 -39.69 83.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.354 0.662 . . . . 0.0 110.934 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -62.56 -41.3 98.83 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.524 -0.735 . . . . 0.0 112.611 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -74.88 -39.12 61.68 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.556 0.616 . . . . 0.0 111.371 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 t -56.43 -51.48 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.863 0.865 . . . . 0.0 110.981 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 97.8 mtp -66.48 -34.66 78.43 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.409 0.683 . . . . 0.0 111.931 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -59.38 -47.83 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.643 1.11 . . . . 0.0 111.657 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.5 m -64.83 -16.27 62.89 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 120.212 1.369 . . . . 0.0 114.266 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.09 -15.84 20.8 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.732 1.213 . . . . 0.0 113.095 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.8 t80 . . . . . 0 CA--C 1.542 0.651 0 C-N-CA 125.225 1.41 . . . . 0.0 112.401 -178.883 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 . . . . . 0 CA--C 1.541 0.621 0 N-CA-C 111.814 0.301 . . . . 0.0 111.814 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.82 140.17 53.25 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.928 0.891 . . . . 0.0 110.877 169.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -49.85 -38.18 34.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.803 1.241 . . . . 0.0 114.108 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 mt -74.88 -37.08 62.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.263 0.938 . . . . 0.0 111.854 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.37 -36.94 68.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.72 0.808 . . . . 0.0 111.85 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.15 -50.66 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.73 1.212 . . . . 0.0 110.205 170.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.6 -46.05 84.53 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.981 0.81 . . . . 0.0 111.969 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -56.01 -47.47 77.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.513 1.125 . . . . 0.0 112.263 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -62.86 -45.16 93.88 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.273 -0.892 . . . . 0.0 112.634 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.0 -38.16 87.57 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.172 1.389 . . . . 0.0 111.972 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mt -71.01 -35.14 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.051 0.94 . . . . 0.0 111.547 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 mt -64.56 -42.21 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.544 1.065 . . . . 0.0 111.273 169.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.67 -41.95 91.8 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.366 0.984 . . . . 0.0 111.966 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.61 -56.07 23.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.274 0.63 . . . . 0.0 111.18 172.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -54.46 -33.67 60.05 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.908 2.083 . . . . 0.0 113.776 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 . . . . . 0 CA--C 1.538 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 112.367 176.446 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t0 . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.93 -32.49 67.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.935 0.894 . . . . 0.0 112.473 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.68 -41.28 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.131 0.572 . . . . 0.0 111.519 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.2 -47.9 77.97 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.519 175.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.25 -41.21 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.14 0.882 . . . . 0.0 111.136 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.32 -44.26 96.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.126 0.875 . . . . 0.0 111.661 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -64.67 -43.31 93.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.531 0.732 . . . . 0.0 111.696 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.12 -43.18 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.027 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.0 t -58.66 -44.0 90.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.427 0.691 . . . . 0.0 111.755 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.41 -53.89 20.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.372 1.069 . . . . 0.0 112.211 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -65.32 -45.18 85.32 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.927 1.291 . . . . 0.0 113.151 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -97.89 -7.88 29.35 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.882 1.273 . . . . 0.0 114.031 -171.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 65.56 26.24 11.68 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.999 1.719 . . . . 0.0 113.809 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.19 154.08 31.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.432 1.893 . . . . 0.0 110.526 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.9 p -69.38 153.14 44.04 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.039 0.836 . . . . 0.0 112.009 -174.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -53.77 -41.3 67.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.15 0.98 . . . . 0.0 110.754 171.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 p -63.3 -34.55 77.94 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.035 0.934 . . . . 0.0 113.346 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -78.35 -39.5 39.21 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.094 0.861 . . . . 0.0 110.74 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.04 -42.57 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.708 0.803 . . . . 0.0 111.308 174.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.73 -37.74 88.63 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.669 172.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -54.31 -56.17 21.12 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 120.122 1.328 . . . . 0.0 113.079 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -60.83 -28.18 68.62 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.95 -1.094 . . . . 0.0 112.993 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.67 -25.06 31.04 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.05 1.34 . . . . 0.0 112.167 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.0 t80 . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 124.938 1.295 . . . . 0.0 110.914 170.428 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 . . . . . 0 N--CA 1.472 0.671 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.27 144.85 49.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.73 1.212 . . . . 0.0 112.119 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.06 -36.1 38.13 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.59 -30.07 41.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.105 0.866 . . . . 0.0 111.915 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.33 -38.82 65.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.408 0.683 . . . . 0.0 111.683 169.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.1 -46.76 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.164 0.986 . . . . 0.0 110.082 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -49.47 75.74 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.132 0.878 . . . . 0.0 112.093 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -47.84 63.12 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.742 1.217 . . . . 0.0 112.624 172.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -63.49 -49.99 71.43 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.459 -0.776 . . . . 0.0 112.291 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.26 -34.18 77.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.305 1.442 . . . . 0.0 112.557 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.1 mt -82.69 -33.53 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.144 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.73 -40.16 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.003 1.274 . . . . 0.0 110.237 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.39 -48.28 79.48 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.926 0.89 . . . . 0.0 111.754 170.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -59.17 -48.59 81.06 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.281 -0.887 . . . . 0.0 111.722 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.97 -43.1 99.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.961 1.704 . . . . 0.0 113.983 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 tpt85 . . . . . 0 N--CA 1.473 0.68 0 C-N-CA 124.155 0.982 . . . . 0.0 113.632 -170.581 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.534 0.364 0 CA-C-O 121.53 0.681 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.71 -30.97 71.99 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.875 0.87 . . . . 0.0 112.816 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.58 -42.31 87.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.4 0.68 . . . . 0.0 111.185 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -63.87 -50.83 67.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.988 0.515 . . . . 0.0 110.69 175.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -51.26 -52.19 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.955 1.302 . . . . 0.0 111.033 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.3 -43.74 88.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.22 1.008 . . . . 0.0 112.497 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -64.94 -38.3 90.5 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.585 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 15' ' ' ALA . 4.0 t -56.17 -32.39 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 120.849 1.659 . . . . 0.0 112.024 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.21 -28.56 69.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -93.12 -50.67 5.4 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.589 1.156 . . . . 0.0 111.67 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -70.41 -48.13 57.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.998 1.319 . . . . 0.0 112.454 -173.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -96.09 -13.36 23.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 67.04 19.76 10.48 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.001 1.721 . . . . 0.0 114.48 173.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.76 144.83 37.63 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.312 1.845 . . . . 0.0 108.693 169.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -67.49 147.43 52.83 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.041 0.837 . . . . 0.0 112.924 -168.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -36.06 62.59 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.871 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 m -64.81 -38.16 90.06 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.813 1.645 . . . . 0.0 113.126 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.85 -39.49 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.701 0.682 . . . . 0.0 110.941 172.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.197 0.999 . . . . 0.0 111.425 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.1 mtm -63.62 -35.8 81.73 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.483 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.44 -53.1 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.469 1.486 . . . . 0.0 112.56 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 -30.48 70.69 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.776 -1.203 . . . . 0.0 112.855 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -82.52 -22.01 35.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 0.0 111.919 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 125.184 1.394 . . . . 0.0 110.945 170.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.23 0.455 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.58 143.21 57.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.072 1.349 . . . . 0.0 112.096 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -54.0 -35.65 62.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.264 1.025 . . . . 0.0 113.239 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.3 mt -80.69 -30.77 36.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.439 1.018 . . . . 0.0 112.512 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.43 77.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.096 0.558 . . . . 0.0 111.214 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.43 -48.76 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.747 1.219 . . . . 0.0 110.471 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.7 68.24 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.682 1.128 . . . . 0.0 111.944 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.25 -47.31 75.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.477 1.111 . . . . 0.0 112.795 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.49 -48.62 80.27 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.127 -0.983 . . . . 0.0 112.208 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.06 -40.8 86.29 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.033 1.333 . . . . 0.0 111.561 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.0 mt -69.57 -33.37 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.945 0.898 . . . . 0.0 111.766 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.64 -44.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.617 1.098 . . . . 0.0 110.701 169.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.34 -46.14 89.45 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.118 0.872 . . . . 0.0 111.422 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.343 -0.848 . . . . 0.0 112.19 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttt-85 -61.46 -38.21 86.39 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.569 1.148 . . . . 0.0 112.757 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? . . . . . 0 N--CA 1.476 0.831 0 C-N-CA 124.465 1.106 . . . . 0.0 113.201 174.799 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 . . . . . 0 N--CA 1.469 0.508 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -60.63 -29.24 69.13 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.892 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -74.37 -37.04 63.58 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.485 0.584 . . . . 0.0 112.229 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.57 -45.18 84.29 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.501 -0.749 . . . . 0.0 110.776 169.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.36 -44.02 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.426 1.012 . . . . 0.0 111.59 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -63.15 -40.4 97.47 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.085 0.954 . . . . 0.0 112.392 173.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.09 -40.49 78.39 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.149 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.546 HG22 HD12 ' A' ' 50' ' ' ILE . 95.4 t -58.04 -40.98 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.354 1.433 . . . . 0.0 110.875 174.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.04 -34.13 67.91 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.17 -55.6 3.85 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.237 1.015 . . . . 0.0 112.218 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -61.75 -45.21 94.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.72 1.608 . . . . 0.0 112.275 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -97.83 -10.05 25.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.369 1.468 . . . . 0.0 114.181 -172.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 67.1 26.0 8.98 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.182 1.793 . . . . 0.0 114.1 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.8 p -102.69 177.17 4.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.051 1.74 . . . . 0.0 111.662 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.0 p -81.89 159.05 23.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.567 0.747 . . . . 0.0 110.091 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.98 -43.97 97.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.107 0.563 . . . . 0.0 111.083 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -63.06 -26.75 68.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.199 -0.938 . . . . 0.0 113.226 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.68 -33.64 76.09 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.075 0.852 . . . . 0.0 111.827 171.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 t -68.21 -45.16 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.594 -0.691 . . . . 0.0 110.129 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.4 -44.44 97.14 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.74 0.816 . . . . 0.0 112.244 173.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -51.08 -58.27 6.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.025 0.93 . . . . 0.0 112.246 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -67.72 -16.28 64.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.07 -29.0 22.22 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.847 0.859 . . . . 0.0 112.264 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.711 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.15 150.8 47.9 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.968 1.307 . . . . 0.0 112.636 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.95 -40.5 57.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.075 1.35 . . . . 0.0 113.668 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.8 -35.62 72.62 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.155 0.889 . . . . 0.0 112.292 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.22 -36.99 58.31 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.524 0.729 . . . . 0.0 112.14 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.02 -41.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.238 1.015 . . . . 0.0 110.88 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.81 71.8 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.998 0.919 . . . . 0.0 111.805 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.33 -48.57 71.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.164 0.586 . . . . 0.0 112.091 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -60.57 -48.04 83.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.139 0.881 . . . . 0.0 111.99 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.14 -34.3 77.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.357 1.063 . . . . 0.0 112.613 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 19' ' ' VAL . 51.7 mt -77.35 -35.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.212 1.005 . . . . 0.0 111.773 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.38 -46.17 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.497 -0.752 . . . . 0.0 109.58 169.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.35 -44.34 96.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.433 0.693 . . . . 0.0 111.962 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.12 -55.5 30.44 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.956 0.798 . . . . 0.0 110.71 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtp-105 -61.06 -53.2 60.1 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.523 1.129 . . . . 0.0 113.316 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -169.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.866 0 CA-C-O 119.541 -0.588 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -74.21 163.63 36.08 Favored 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.294 3.33 . . . . 0.0 112.024 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -78.65 150.35 32.66 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 123.732 0.813 . . . . 0.0 112.509 176.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.8 tpt -73.43 146.43 45.05 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.019 0.928 . . . . 0.0 112.185 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 p -83.73 -15.02 50.18 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.284 1.434 . . . . 0.0 114.817 -173.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -133.16 155.92 48.41 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.577 1.551 . . . . 0.0 112.876 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -166.81 159.43 13.69 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.693 1.997 . . . . 0.0 110.42 -177.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.1 -23.62 14.57 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -59.19 -23.73 62.51 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 124.628 1.171 . . . . 0.0 113.899 170.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.1 m -114.74 33.42 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.356 1.462 . . . . 0.0 112.673 178.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.58 152.86 36.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 125.753 1.621 . . . . 0.0 110.158 169.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -92.49 100.42 12.97 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.938 0.895 . . . . 0.0 109.515 172.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.0 -30.5 71.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.393 -177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -66.25 -43.14 87.36 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.129 0.972 . . . . 0.0 111.179 170.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.41 -47.48 81.81 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.627 -0.67 . . . . 0.0 111.229 173.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -54.18 -47.82 66.87 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-N 118.606 0.639 . . . . 0.0 110.711 174.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.1 -44.16 95.05 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.716 0.807 . . . . 0.0 112.399 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.73 -40.9 97.89 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 118.589 -0.72 . . . . 0.0 112.531 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.78 -44.02 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 120.0 1.273 . . . . 0.0 110.564 171.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.1 m -56.86 -43.33 81.08 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.005 0.821 . . . . 0.0 112.991 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.43 -35.12 25.24 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -79.36 -42.85 24.69 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.295 0.952 . . . . 0.0 112.257 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -83.06 -22.99 33.35 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.563 1.545 . . . . 0.0 112.994 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.66 71.6 0.17 Allowed 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.033 2.133 . . . . 0.0 111.039 -179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 23.9 p -157.86 179.67 8.98 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.041 1.736 . . . . 0.0 112.227 -172.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 69.1 p -102.76 155.07 18.57 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.516 1.526 . . . . 0.0 111.757 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -56.12 -42.76 77.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.418 0.687 . . . . 0.0 111.002 -177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -59.29 -33.65 71.33 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.857 0.863 . . . . 0.0 112.916 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -71.74 -42.64 67.02 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 118.591 0.632 . . . . 0.0 110.717 175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 45.2 t -62.76 -48.45 88.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.088 0.555 . . . . 0.0 110.675 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 88.8 mtp -64.65 -37.58 88.05 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.371 -0.823 . . . . 0.0 112.239 178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.7 t30 -53.41 -54.91 30.04 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 119.858 1.208 . . . . 0.0 112.212 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.1 m -67.94 -16.86 64.26 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -90.27 -22.71 21.47 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.606 1.162 . . . . 0.0 112.449 175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -111.43 -38.67 4.89 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.709 1.204 . . . . 0.0 113.747 -171.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.7 m -130.1 -18.74 3.28 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.196 1.398 . . . . 0.0 114.526 -173.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.27 -130.67 3.54 Favored Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.156 0.884 . . . . 0.0 111.133 171.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -145.79 142.31 17.77 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 124.648 1.179 . . . . 0.0 111.074 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -54.16 -16.13 9.06 Favored 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 124.516 3.477 . . . . 0.0 117.041 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -86.27 -8.81 57.47 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.771 1.229 . . . . 0.0 112.711 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.01 147.2 51.93 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.155 0.982 . . . . 0.0 111.851 172.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -55.67 -34.83 65.35 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -172.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.31 -34.94 73.31 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 119.785 1.175 . . . . 0.0 112.36 177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.01 -36.23 41.54 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.511 0.724 . . . . 0.0 112.139 174.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.95 -43.28 95.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 124.079 0.951 . . . . 0.0 110.094 170.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.89 77.79 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.261 0.937 . . . . 0.0 111.799 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -56.23 -45.43 79.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.869 0.868 . . . . 0.0 112.584 175.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -62.09 -49.91 74.04 Favored 'General case' 0 CA--C 1.549 0.938 0 O-C-N 121.253 -0.904 . . . . 0.0 112.457 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 mp -65.43 -34.09 77.48 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.631 1.172 . . . . 0.0 112.343 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.8 mt -74.73 -32.11 27.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.896 0.878 . . . . 0.0 111.397 176.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.92 -35.92 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 CA-C-N 119.556 1.071 . . . . 0.0 111.195 170.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -63.92 -44.94 91.4 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 120.737 -1.227 . . . . 0.0 111.809 169.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -57.77 -56.01 27.51 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.086 0.954 . . . . 0.0 111.162 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -54.45 -35.64 63.22 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 127.776 2.431 . . . . 0.0 113.965 -179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -83.37 -56.52 3.71 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.102 0.961 . . . . 0.0 112.776 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.3 mm -91.51 -60.59 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 124.041 0.936 . . . . 0.0 112.373 -169.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.2 mtt -67.3 -29.66 69.3 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 121.801 -0.562 . . . . 0.0 111.859 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -57.85 -27.96 63.68 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.445 1.898 . . . . 0.0 113.474 170.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -107.22 -30.93 8.45 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.73 1.212 . . . . 0.0 112.841 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.44 -20.71 62.88 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.656 1.354 . . . . 0.0 114.656 -176.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 82.7 p -159.73 168.09 26.77 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.296 1.438 . . . . 0.0 112.886 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.252 1.234 0 C-N-CA 126.115 1.766 . . . . 0.0 112.132 -177.412 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.054 0 CA-C-O 118.949 -0.917 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -74.18 151.9 44.46 Favored 'Trans proline' 0 C--N 1.351 0.691 0 C-N-CA 124.086 3.191 . . . . 0.0 112.07 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -72.37 -20.65 61.42 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.513 0.725 . . . . 0.0 112.654 -177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -67.1 -33.91 76.48 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.058 1.343 . . . . 0.0 113.178 -175.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m 177.49 128.97 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 128.501 2.72 . . . . 0.0 110.615 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -163.88 159.95 21.61 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.685 1.594 . . . . 0.0 111.791 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -162.03 154.95 20.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.847 1.659 . . . . 0.0 111.66 -176.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.04 85.6 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -172.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -72.98 -40.29 65.4 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.861 0.864 . . . . 0.0 112.25 175.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.0 t 78.58 88.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 129.984 3.314 . . . . 0.0 108.666 -173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.7 tt -79.81 172.74 1.07 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.995 0 C-N-CA 126.42 1.888 . . . . 0.0 114.286 -169.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -119.38 124.82 47.52 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.721 1.208 . . . . 0.0 110.034 169.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -57.06 -32.02 65.8 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.203 1.001 . . . . 0.0 112.888 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -73.51 -42.43 61.81 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.927 0.891 . . . . 0.0 111.719 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.423 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -60.37 -47.85 84.28 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.748 -0.595 . . . . 0.0 110.439 171.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.3 -38.51 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 CA-C-N 118.572 0.624 . . . . 0.0 111.462 176.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -46.38 89.21 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.356 0.663 . . . . 0.0 111.669 174.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.34 -47.18 74.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.544 0.738 . . . . 0.0 111.758 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 15' ' ' ALA . 59.1 t -58.76 -42.64 85.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 CA-C-N 119.461 1.028 . . . . 0.0 111.844 -179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -54.09 -44.87 71.59 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.864 0.865 . . . . 0.0 112.036 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -77.86 -53.0 7.99 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.248 1.019 . . . . 0.0 112.279 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mmpt? -58.8 -46.97 86.36 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.601 1.16 . . . . 0.0 112.763 -177.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -94.67 -5.62 45.17 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.662 1.185 . . . . 0.0 113.964 -171.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 64.84 29.49 12.53 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.203 1.801 . . . . 0.0 113.198 174.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.2 p -102.67 -151.72 0.43 Allowed 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 127.097 2.159 . . . . 0.0 111.264 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.3 p -133.01 148.38 52.25 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.566 1.546 . . . . 0.0 111.143 174.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -56.22 -46.13 79.64 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.837 0.855 . . . . 0.0 111.167 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -62.2 -34.15 75.9 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.473 0.709 . . . . 0.0 112.628 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -75.37 -36.99 60.85 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.808 0.731 . . . . 0.0 111.314 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.6 t -61.67 -43.24 96.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 118.5 0.591 . . . . 0.0 110.508 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 99.2 mtp -64.94 -39.42 93.47 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 118.333 -0.841 . . . . 0.0 112.874 175.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -55.12 -51.5 66.24 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.118 1.326 . . . . 0.0 113.54 -175.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -63.54 -23.78 67.53 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 121.136 -0.977 . . . . 0.0 113.239 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.8 mt -94.12 -16.54 23.66 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.766 1.626 . . . . 0.0 111.767 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -79.26 -40.29 30.94 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.557 1.543 . . . . 0.0 110.414 169.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 72.4 p -73.92 -32.38 63.51 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.806 0.443 . . . . 0.0 111.148 169.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 93.02 31.1 8.75 Favored Glycine 0 CA--C 1.528 0.901 0 C-N-CA 124.93 1.252 . . . . 0.0 114.562 169.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -96.37 111.24 56.18 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 124.357 1.063 . . . . 0.0 111.231 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -77.43 -7.22 16.83 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 123.521 2.814 . . . . 0.0 113.511 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -87.62 -15.68 36.63 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.186 0.903 . . . . 0.0 112.647 -172.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -68.6 145.37 54.0 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.088 1.355 . . . . 0.0 112.279 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -57.13 -35.04 69.01 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.674 0.789 . . . . 0.0 112.97 -176.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 53.7 mt -78.1 -31.21 49.93 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.596 1.089 . . . . 0.0 112.536 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.6 -40.2 76.8 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.547 0.739 . . . . 0.0 111.494 169.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.78 -46.08 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 124.719 1.208 . . . . 0.0 110.861 171.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.91 -51.01 69.11 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.964 0.906 . . . . 0.0 111.714 172.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -52.97 -47.4 68.21 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.707 1.203 . . . . 0.0 112.893 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -61.83 -52.26 64.9 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.941 0.791 . . . . 0.0 112.0 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.43 -37.36 83.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.938 1.295 . . . . 0.0 112.441 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 72.3 mt -74.53 -32.42 29.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.722 0.809 . . . . 0.0 111.228 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.26 -39.46 81.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 119.738 1.154 . . . . 0.0 110.812 169.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -59.48 -44.22 93.1 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.529 1.059 . . . . 0.0 111.375 173.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -60.87 -50.08 74.86 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.381 -0.824 . . . . 0.0 111.977 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -57.93 -39.47 78.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.507 1.523 . . . . 0.0 113.04 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -86.58 -54.08 4.6 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.708 1.203 . . . . 0.0 113.671 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 58.4 mt -86.42 -43.14 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 124.38 1.072 . . . . 0.0 111.59 -169.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.9 mtt -102.49 32.78 3.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.568 1.547 . . . . 0.0 111.432 -176.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -54.42 131.65 42.74 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.469 1.508 . . . . 0.0 112.93 -170.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -143.52 148.19 35.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.16 1.384 . . . . 0.0 110.284 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -150.56 170.46 19.08 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.284 1.434 . . . . 0.0 112.083 -178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.3 m -78.38 -9.33 59.23 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 -177.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 49.1 mm-40 . . . . . 0 C--O 1.254 1.319 0 C-N-CA 125.728 1.611 . . . . 0.0 113.851 -178.492 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.916 0 CA-C-O 119.035 -0.869 . . . . 0.0 113.203 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo -55.95 -21.52 34.21 Favored 'Trans proline' 0 CA--C 1.541 0.837 1 C-N-CA 125.355 4.036 . . . . 0.0 116.359 -174.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -62.51 -16.93 58.4 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 173.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.5 mtt -77.01 143.23 39.51 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.075 0.95 . . . . 0.0 112.036 176.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -72.07 144.13 48.83 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.693 0.797 . . . . 0.0 112.808 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -66.71 -39.85 88.19 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.724 0.81 . . . . 0.0 112.763 175.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -171.41 161.6 6.43 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.495 2.318 . . . . 0.0 109.809 -175.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.49 -26.38 20.4 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.162 -0.961 . . . . 0.0 113.45 173.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -91.96 11.0 26.54 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 125.787 1.635 . . . . 0.0 114.132 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.3 p -52.79 140.33 8.64 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.646 1.178 . . . . 0.0 112.761 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.47 149.69 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.752 1.221 . . . . 0.0 112.584 -176.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -93.93 118.38 31.4 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.302 0.573 . . . . 0.0 111.884 176.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -57.29 -31.3 65.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.62 1.168 . . . . 0.0 112.76 175.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -70.81 -46.23 63.17 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 118.837 0.744 . . . . 0.0 111.275 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.45 82.9 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.891 -0.506 . . . . 0.0 110.984 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.8 t -53.95 -49.0 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.068 0.849 . . . . 0.0 111.425 173.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -59.92 -40.14 87.86 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.156 0.982 . . . . 0.0 112.454 172.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -65.97 -37.73 86.75 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 119.432 1.015 . . . . 0.0 112.176 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.5 t -60.46 -43.21 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 120.101 1.319 . . . . 0.0 110.727 170.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.1 t -59.12 -39.95 83.9 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 118.318 0.508 . . . . 0.0 112.081 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -71.75 -55.14 8.18 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.623 1.169 . . . . 0.0 112.8 178.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -72.64 -46.52 53.59 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.354 -0.841 . . . . 0.0 112.789 -175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -88.08 -9.87 51.93 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.991 1.316 . . . . 0.0 114.238 -172.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 65.2 25.04 12.33 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.992 1.717 . . . . 0.0 114.139 171.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.4 m -115.6 156.19 26.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.299 1.839 . . . . 0.0 110.153 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 60.2 p -70.4 140.77 52.15 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.634 1.106 . . . . 0.0 111.833 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.74 -36.44 74.32 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.001 0.92 . . . . 0.0 111.825 -177.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -62.5 -36.06 81.36 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.181 1.392 . . . . 0.0 112.514 174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -75.72 -36.87 59.85 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.543 1.065 . . . . 0.0 110.976 175.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 85.5 t -56.66 -48.86 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 122.945 0.498 . . . . 0.0 110.499 171.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 78.8 mtm -62.97 -41.67 99.61 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.576 -0.726 . . . . 0.0 112.402 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -55.36 -50.11 70.52 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.559 1.072 . . . . 0.0 112.226 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.3 m -62.32 -23.84 66.99 Favored 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 120.002 1.273 . . . . 0.0 114.028 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.8 mt -89.51 -21.89 22.7 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.695 1.198 . . . . 0.0 112.769 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -108.19 -34.3 6.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.563 1.145 . . . . 0.0 113.729 -172.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.4 t -144.16 -5.67 0.77 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -173.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -90.85 -126.71 3.46 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-N 119.455 1.025 . . . . 0.0 110.793 170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -144.05 139.54 16.05 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.621 1.168 . . . . 0.0 110.999 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -54.84 -14.57 8.14 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 124.549 3.499 . . . . 0.0 116.919 179.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -88.89 -7.76 55.51 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.88 1.272 . . . . 0.0 112.524 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -62.66 145.43 54.63 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.567 1.147 . . . . 0.0 111.724 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 -53.14 -35.77 60.08 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.715 1.206 . . . . 0.0 113.074 -176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.4 mt -76.41 -31.8 58.15 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.87 1.214 . . . . 0.0 112.671 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.6 62.85 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.312 0.645 . . . . 0.0 111.85 172.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.77 -43.98 98.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 124.259 1.024 . . . . 0.0 110.588 169.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.67 -48.04 78.49 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.926 0.785 . . . . 0.0 111.586 171.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.45 -46.45 83.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.224 0.92 . . . . 0.0 112.894 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -57.85 -47.92 81.3 Favored 'General case' 0 CA--C 1.547 0.835 0 CA-C-N 119.132 0.878 . . . . 0.0 112.219 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.24 -37.13 86.27 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.512 1.125 . . . . 0.0 112.156 176.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.1 mt -76.91 -32.37 19.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 C-N-CA 124.052 0.941 . . . . 0.0 112.303 -178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 8.0 mm -61.59 -41.95 92.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 119.297 0.953 . . . . 0.0 109.064 168.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -66.22 -40.23 90.16 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.741 0.701 . . . . 0.0 112.666 175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -57.4 -55.42 35.08 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.229 -0.919 . . . . 0.0 110.381 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -56.52 -35.83 68.51 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.882 2.073 . . . . 0.0 113.85 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -86.97 -51.15 6.19 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.733 1.213 . . . . 0.0 113.746 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.2 mm -98.64 -47.81 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.158 0.983 . . . . 0.0 113.226 -169.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 mtt -82.14 -14.11 56.19 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 -173.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -74.69 52.22 0.51 Allowed 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 127.187 2.195 . . . . 0.0 112.571 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -139.76 154.22 47.36 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.078 1.751 . . . . 0.0 110.499 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.56 158.28 33.64 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.327 1.451 . . . . 0.0 112.196 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.6 m -83.41 156.45 22.95 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.334 1.054 . . . . 0.0 112.859 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.254 1.297 0 C-N-CA 126.397 1.879 . . . . 0.0 113.516 179.573 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.761 0 CA-C-O 119.704 -0.498 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.4 163.96 35.09 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 124.392 3.395 . . . . 0.0 112.118 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -157.09 157.24 34.18 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.189 1.396 . . . . 0.0 111.269 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 63.9 mtt -72.97 165.9 24.1 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.015 0.926 . . . . 0.0 112.84 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -167.11 160.6 14.06 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 127.578 2.351 . . . . 0.0 108.914 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -58.59 -35.46 72.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 -170.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -71.19 -22.93 61.96 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.731 1.212 . . . . 0.0 114.219 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.38 -34.36 16.53 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.384 1.073 . . . . 0.0 111.681 172.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -72.59 -40.44 66.56 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.053 1.341 . . . . 0.0 112.676 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t 69.41 85.75 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 127.779 2.432 . . . . 0.0 110.847 176.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 tt -143.96 147.95 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 125.973 1.709 . . . . 0.0 110.486 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -94.6 107.9 19.88 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.689 0.757 . . . . 0.0 111.254 179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -58.8 -37.19 75.8 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.149 1.38 . . . . 0.0 112.958 -175.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -67.3 -41.09 85.96 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.09 0.556 . . . . 0.0 111.675 175.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.87 -46.97 79.57 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.381 -0.825 . . . . 0.0 110.897 174.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.9 t -60.44 -32.51 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 126.304 1.842 . . . . 0.0 112.771 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -86.13 -37.64 18.57 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.316 0.962 . . . . 0.0 112.998 173.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.24 -39.6 68.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.018 0.826 . . . . 0.0 112.696 -178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.1 p -51.28 -34.2 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 124.892 1.277 . . . . 0.0 113.868 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.06 -40.27 88.9 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.741 0.816 . . . . 0.0 112.085 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -83.12 -52.82 6.29 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.127 0.971 . . . . 0.0 111.18 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.67 98.86 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.42 1.488 . . . . 0.0 112.34 -172.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -102.08 -4.84 25.3 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.198 1.399 . . . . 0.0 113.799 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 65.66 26.63 11.47 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.089 1.756 . . . . 0.0 113.646 176.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.8 p -102.93 -157.24 0.6 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.605 1.962 . . . . 0.0 111.986 177.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -123.19 144.94 49.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.267 1.027 . . . . 0.0 111.656 172.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -50.98 -48.05 61.29 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.094 1.358 . . . . 0.0 110.638 172.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.6 m -59.17 -39.84 83.74 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -79.3 -31.13 43.19 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.96 0.8 . . . . 0.0 112.046 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -62.57 -51.28 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 O-C-N 121.506 -0.746 . . . . 0.0 110.466 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 98.6 mtp -61.23 -45.61 93.83 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.936 0.494 . . . . 0.0 111.131 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -55.76 -45.68 78.05 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.398 -0.814 . . . . 0.0 111.903 173.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.6 m -62.95 -27.44 69.39 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 120.915 -1.116 . . . . 0.0 113.284 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.7 mt -84.23 -21.74 31.08 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.142 0.977 . . . . 0.0 112.492 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.0 m-30 -106.76 -41.91 5.1 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.238 1.015 . . . . 0.0 113.653 -173.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 51.1 m -127.81 -17.18 4.54 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.309 1.444 . . . . 0.0 113.979 -170.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.39 -122.38 1.63 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 169.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -146.12 135.82 11.67 Favored Pre-proline 0 CA--C 1.552 1.02 0 C-N-CA 124.523 1.129 . . . . 0.0 110.342 170.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -57.43 -5.26 1.53 Allowed 'Trans proline' 0 CA--C 1.545 1.036 0 C-N-CA 124.499 3.466 . . . . 0.0 116.92 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -93.13 -4.78 51.63 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.199 1.4 . . . . 0.0 112.359 175.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.94 149.55 44.39 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.685 1.194 . . . . 0.0 111.724 172.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -50.6 -36.07 33.25 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.339 1.056 . . . . 0.0 113.191 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -72.38 -40.02 67.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.223 0.92 . . . . 0.0 112.015 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.35 -37.62 74.67 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.488 0.715 . . . . 0.0 111.886 173.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 43.0 t -64.51 -40.46 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.305 1.042 . . . . 0.0 111.176 173.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.25 -50.53 73.24 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.775 1.17 . . . . 0.0 111.925 172.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -53.43 -47.67 69.44 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.159 0.984 . . . . 0.0 112.262 172.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 66.7 t60 -62.48 -44.81 95.5 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 121.171 -0.956 . . . . 0.0 112.939 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -64.99 -34.91 79.57 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.461 1.104 . . . . 0.0 112.203 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 68.7 mt -69.51 -37.0 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 123.821 0.848 . . . . 0.0 111.359 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.3 mt -61.87 -45.04 99.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 CA-C-N 119.285 0.948 . . . . 0.0 110.536 169.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -64.01 -39.96 95.28 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 119.366 0.985 . . . . 0.0 112.641 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -61.5 -49.77 75.41 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.85 0.86 . . . . 0.0 111.05 172.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.65 -36.94 74.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.541 1.537 . . . . 0.0 113.176 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.5 ttp180 -77.8 -59.21 2.88 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 126.221 1.808 . . . . 0.0 113.165 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.6 mm -95.02 -44.57 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.419 1.488 . . . . 0.0 112.521 -169.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.0 mtt -93.89 31.56 1.6 Allowed 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.135 1.374 . . . . 0.0 111.533 -178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -55.58 -32.11 62.76 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.382 1.873 . . . . 0.0 114.431 -169.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -170.97 167.69 7.22 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.981 1.712 . . . . 0.0 111.278 -171.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -155.9 165.13 37.41 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.79 1.636 . . . . 0.0 111.615 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 m -170.85 161.51 7.19 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 127.093 2.157 . . . . 0.0 111.202 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 C--O 1.253 1.26 0 C-N-CA 125.915 1.686 . . . . 0.0 112.134 -178.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.999 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.93 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -73.76 164.1 35.56 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.106 3.204 . . . . 0.0 112.005 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -160.13 168.46 25.44 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.302 1.441 . . . . 0.0 112.183 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.3 mtt -73.31 156.4 38.48 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.101 0.96 . . . . 0.0 111.742 174.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -75.81 113.24 13.06 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.481 -0.762 . . . . 0.0 110.783 173.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -90.05 178.28 6.24 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.862 1.265 . . . . 0.0 112.658 -178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -54.23 -38.52 65.82 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.945 1.298 . . . . 0.0 113.557 -176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.13 -32.05 69.87 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.255 1.022 . . . . 0.0 113.14 175.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -72.52 -46.27 55.42 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 118.512 0.597 . . . . 0.0 111.536 172.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.6 m -83.48 31.33 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.363 1.065 . . . . 0.0 113.512 -176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 7.4 tt -71.43 157.3 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 125.108 1.363 . . . . 0.0 112.699 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -86.36 123.02 31.14 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.64 -0.662 . . . . 0.0 110.97 171.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -57.85 -38.74 76.21 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.773 -0.632 . . . . 0.0 111.912 174.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.22 -38.52 89.49 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.942 0.792 . . . . 0.0 111.349 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.37 -53.83 42.5 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 121.807 -0.558 . . . . 0.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.4 t -56.94 -39.85 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 O-C-N 121.523 -0.736 . . . . 0.0 111.903 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -62.28 -45.77 91.8 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.076 0.95 . . . . 0.0 112.151 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -62.81 -39.52 94.52 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 118.131 -0.937 . . . . 0.0 112.418 174.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.18 -48.82 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 CA-C-N 120.281 1.401 . . . . 0.0 110.483 174.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.9 t -52.82 -48.38 67.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.766 0.826 . . . . 0.0 111.896 176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -70.09 -56.78 6.03 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.628 1.171 . . . . 0.0 112.74 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -72.45 -42.15 65.32 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.777 1.231 . . . . 0.0 112.794 -170.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -84.96 -15.2 45.12 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.377 1.071 . . . . 0.0 112.776 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 66.43 55.92 0.8 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.175 1.79 . . . . 0.0 112.254 174.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.6 m -145.05 170.82 15.44 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.553 1.941 . . . . 0.0 111.207 -178.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.6 p -75.48 146.59 40.5 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.63 0.772 . . . . 0.0 111.764 178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -60.17 -42.17 94.41 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.511 0.725 . . . . 0.0 110.691 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.4 p -55.81 -34.61 65.5 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.393 1.077 . . . . 0.0 113.115 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -79.02 -23.85 44.06 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.08 0.855 . . . . 0.0 112.543 178.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 38.8 t -68.0 -46.84 81.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 118.79 0.723 . . . . 0.0 109.175 169.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.0 mmm -62.25 -48.24 80.82 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 175.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -57.45 -45.31 84.88 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.742 0.701 . . . . 0.0 111.586 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.6 m -61.18 -22.2 64.51 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.4 mt -97.33 -18.91 18.86 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.809 1.244 . . . . 0.0 112.886 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -98.93 -50.05 4.33 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.482 1.113 . . . . 0.0 112.921 177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.5 m -109.75 -22.33 11.96 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.654 1.582 . . . . 0.0 113.259 -174.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.52 -151.29 21.01 Favored Glycine 0 CA--C 1.531 1.081 0 C-N-CA 124.574 1.083 . . . . 0.0 112.25 171.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -137.78 150.1 66.71 Favored Pre-proline 0 CA--C 1.55 0.978 0 C-N-CA 125.935 1.694 . . . . 0.0 110.443 177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -54.77 5.53 0.04 OUTLIER 'Trans proline' 0 CA--C 1.546 1.086 1 C-N-CA 125.38 4.053 . . . . 0.0 117.907 177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -103.01 -10.43 18.95 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.812 1.645 . . . . 0.0 112.477 175.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -66.27 141.98 57.83 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.989 0.915 . . . . 0.0 110.647 172.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.9 -35.5 45.59 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.461 1.282 . . . . 0.0 114.461 -172.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 72.0 mt -79.61 -32.2 41.77 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.204 0.911 . . . . 0.0 113.063 178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.31 -37.23 71.8 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 118.655 0.661 . . . . 0.0 111.389 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -62.29 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.573 1.149 . . . . 0.0 110.223 169.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.04 -44.06 82.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.753 1.161 . . . . 0.0 112.308 173.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -54.44 -45.13 72.99 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.6 -0.687 . . . . 0.0 112.141 170.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -59.64 -46.91 87.58 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.078 0.854 . . . . 0.0 112.513 173.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -63.55 -38.87 92.77 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.214 0.915 . . . . 0.0 112.777 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.85 -41.8 90.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-N 119.292 0.951 . . . . 0.0 111.728 173.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 9.0 mm -65.61 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 123.586 0.754 . . . . 0.0 110.499 176.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -64.34 -39.68 94.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.536 1.134 . . . . 0.0 112.289 171.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -59.1 -55.98 28.02 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.673 0.789 . . . . 0.0 110.901 173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -59.02 -44.74 91.77 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.988 0.915 . . . . 0.0 112.664 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 -71.6 -47.24 56.01 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.35 1.06 . . . . 0.0 113.744 -177.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.5 mt -113.27 -45.54 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -169.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 38.7 mtt -83.43 -23.52 32.28 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 -169.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -51.27 117.02 2.32 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.965 1.706 . . . . 0.0 112.981 -170.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -159.97 164.57 33.24 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.378 1.471 . . . . 0.0 111.924 -175.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.46 158.58 33.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.126 0.97 . . . . 0.0 112.738 176.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.8 p -80.61 -10.66 59.72 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 . . . . . 0 C--O 1.256 1.402 0 C-N-CA 126.526 1.931 . . . . 0.0 112.581 -178.668 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.074 0 CA-C-O 119.555 -0.58 . . . . 0.0 112.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.56 134.19 60.68 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 124.38 3.387 . . . . 0.0 112.648 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.89 -6.41 59.08 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -178.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.75 154.38 40.69 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.233 1.813 . . . . 0.0 112.471 -178.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.6 m -71.75 -25.74 62.17 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -94.91 158.98 15.24 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.147 1.779 . . . . 0.0 112.359 172.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -77.41 135.07 38.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 123.856 0.862 . . . . 0.0 111.669 176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.74 -17.05 39.55 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 -176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -93.85 -34.97 12.94 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.621 1.168 . . . . 0.0 113.52 -174.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.5 138.96 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.773 1.229 . . . . 0.0 112.487 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.9 tp -90.28 153.94 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.751 1.22 . . . . 0.0 112.273 -177.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -85.3 107.66 17.43 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.729 0.776 . . . . 0.0 110.61 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -61.09 -37.9 84.36 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.555 1.142 . . . . 0.0 112.264 -176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -62.8 -43.86 97.68 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.635 0.774 . . . . 0.0 111.198 173.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.68 72.75 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.698 -0.626 . . . . 0.0 110.89 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 78.9 t -55.77 -42.18 69.01 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 CA-C-N 118.826 0.739 . . . . 0.0 111.51 175.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.69 -45.44 93.97 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.63 0.772 . . . . 0.0 111.859 173.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -62.78 -39.59 94.69 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 117.937 -1.03 . . . . 0.0 112.118 174.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.72 -43.25 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 CA-C-N 120.838 1.653 . . . . 0.0 111.409 173.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.1 t -56.4 -45.26 80.7 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.457 0.703 . . . . 0.0 111.245 174.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.77 -54.07 18.14 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.268 1.027 . . . . 0.0 112.464 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -66.94 -48.97 66.97 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.635 1.574 . . . . 0.0 112.86 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -93.79 -10.67 33.37 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.84 1.256 . . . . 0.0 114.353 -169.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 69.97 24.85 5.01 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.37 1.868 . . . . 0.0 114.135 172.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 3.1 t -103.47 -178.2 3.59 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.98 1.312 . . . . 0.0 110.903 170.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 59.9 p -92.57 150.72 20.56 Favored 'General case' 0 N--CA 1.478 0.934 0 O-C-N 121.369 -0.832 . . . . 0.0 111.236 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -56.51 -39.23 72.95 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.088 0.555 . . . . 0.0 110.913 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.7 p -65.26 -37.92 88.72 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.769 0.828 . . . . 0.0 113.143 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -75.67 -36.29 60.16 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.287 0.949 . . . . 0.0 111.26 176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.2 t -60.99 -46.73 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 122.892 0.477 . . . . 0.0 110.799 171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.8 mtt -61.14 -37.19 81.98 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 118.117 -0.944 . . . . 0.0 112.518 174.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -54.26 -54.62 37.7 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 120.341 1.428 . . . . 0.0 112.729 -176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.0 m -65.1 -23.42 67.15 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 121.204 -0.935 . . . . 0.0 113.342 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 76.5 mt -86.12 -22.32 27.15 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.067 1.347 . . . . 0.0 111.576 177.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -82.32 -40.65 21.16 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.582 1.553 . . . . 0.0 111.261 173.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 82.9 p -70.56 -30.72 67.5 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.811 -0.556 . . . . 0.0 111.185 169.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 88.43 28.67 21.58 Favored Glycine 0 C--N 1.342 0.912 0 C-N-CA 124.882 1.229 . . . . 0.0 114.32 169.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -95.36 109.63 46.22 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 124.288 1.035 . . . . 0.0 111.013 176.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.13 -4.82 15.24 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.528 2.819 . . . . 0.0 113.358 -178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -90.21 -16.37 29.57 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.977 0.911 . . . . 0.0 112.411 -173.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -69.67 142.09 53.46 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.835 1.254 . . . . 0.0 111.842 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -56.03 -34.48 65.89 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -174.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.0 mt -75.25 -33.7 61.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.633 1.106 . . . . 0.0 111.881 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.27 -37.7 66.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.311 0.645 . . . . 0.0 111.91 171.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.39 -49.47 83.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 124.029 0.932 . . . . 0.0 109.828 170.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.05 74.88 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.693 0.797 . . . . 0.0 111.783 174.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -57.61 -48.44 79.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 118.852 0.751 . . . . 0.0 113.002 173.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 61.1 m80 -60.94 -44.38 97.34 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.671 1.123 . . . . 0.0 112.515 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.39 -40.64 97.77 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.749 1.22 . . . . 0.0 112.061 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 67.1 mt -77.41 -31.97 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.072 0.949 . . . . 0.0 111.976 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.4 mm -62.75 -46.5 96.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 CA-C-N 119.623 1.101 . . . . 0.0 109.563 169.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -61.99 -42.4 99.1 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.607 0.64 . . . . 0.0 111.993 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.68 -56.98 15.25 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 122.955 0.502 . . . . 0.0 110.76 172.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -52.05 -38.84 58.43 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 126.109 1.763 . . . . 0.0 113.173 178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -80.01 -49.13 12.24 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.037 1.335 . . . . 0.0 113.393 -178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.2 mm -110.48 -48.97 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 24.6 mmt -108.76 37.6 2.49 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.218 1.407 . . . . 0.0 112.659 -169.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -56.71 135.32 55.23 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.232 1.013 . . . . 0.0 113.528 -169.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -74.49 -40.64 61.7 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.187 0.995 . . . . 0.0 112.804 -175.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -161.62 152.56 18.11 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.419 1.088 . . . . 0.0 113.016 -175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.9 p -173.29 156.46 3.13 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.232 1.813 . . . . 0.0 111.711 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.253 1.289 0 C-N-CA 125.602 1.561 . . . . 0.0 112.173 -177.842 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.942 0 CA-C-O 119.532 -0.594 . . . . 0.0 112.978 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.05 160.37 36.76 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 124.08 3.186 . . . . 0.0 112.176 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -65.22 -18.78 65.58 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.518 0.727 . . . . 0.0 112.475 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.3 mtt -67.13 -15.86 63.97 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.135 1.374 . . . . 0.0 113.765 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.5 m -77.18 51.66 0.85 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.926 1.29 . . . . 0.0 112.632 176.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -60.55 164.01 4.88 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.683 1.593 . . . . 0.0 112.89 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -58.88 -33.38 70.42 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.62 1.168 . . . . 0.0 113.608 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.79 -31.63 57.13 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.448 1.099 . . . . 0.0 113.016 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -81.43 -42.65 20.06 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.719 1.208 . . . . 0.0 112.856 -178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.0 p -65.42 141.29 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.452 1.101 . . . . 0.0 112.458 -171.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 tt -140.72 152.47 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.665 1.586 . . . . 0.0 110.8 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -92.43 105.26 17.48 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.676 0.79 . . . . 0.0 110.453 174.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -60.16 -35.58 75.65 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.127 0.971 . . . . 0.0 112.639 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -66.85 -39.73 87.69 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.107 0.963 . . . . 0.0 111.625 174.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.1 76.98 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 121.443 -0.785 . . . . 0.0 111.546 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.5 t -56.53 -42.64 76.26 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 124.387 1.075 . . . . 0.0 111.139 174.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.13 -47.36 83.08 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.847 0.859 . . . . 0.0 111.58 175.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -66.39 -47.88 71.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 117.906 -1.045 . . . . 0.0 113.296 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.9 -31.64 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 120.693 1.588 . . . . 0.0 113.051 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.2 t -56.31 -37.05 69.39 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.291 1.036 . . . . 0.0 112.059 172.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -91.72 -52.39 4.78 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.021 1.328 . . . . 0.0 111.063 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 mmtm -53.45 -46.78 69.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.622 1.569 . . . . 0.0 112.352 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -101.85 -4.64 25.94 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.025 1.33 . . . . 0.0 114.152 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 63.41 30.42 15.43 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.755 1.622 . . . . 0.0 113.369 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.9 p -102.72 -148.87 0.39 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 126.385 1.874 . . . . 0.0 111.727 -178.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 57.9 p -131.07 148.06 52.69 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.605 1.162 . . . . 0.0 110.959 170.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -55.65 -42.24 74.76 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.787 0.835 . . . . 0.0 110.168 173.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.3 m -60.07 -42.14 93.9 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.392 1.077 . . . . 0.0 112.75 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -80.01 -30.12 39.54 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.139 0.881 . . . . 0.0 112.191 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -60.91 -49.74 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 O-C-N 121.928 -0.483 . . . . 0.0 110.088 169.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 77.9 mtm -62.17 -40.88 97.5 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 118.961 -0.542 . . . . 0.0 111.764 175.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -52.21 -56.45 14.57 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.122 0.874 . . . . 0.0 110.84 172.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.7 m -61.87 -21.61 64.83 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.876 1.436 . . . . 0.0 114.876 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -87.47 -25.38 23.76 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.735 0.814 . . . . 0.0 113.133 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -111.64 -33.44 6.35 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -174.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -130.13 -17.57 3.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.681 1.193 . . . . 0.0 114.184 -172.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -89.65 -125.51 2.79 Favored Glycine 0 CA--C 1.53 0.986 0 C-N-CA 124.506 1.05 . . . . 0.0 110.524 169.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -146.33 139.31 14.32 Favored Pre-proline 0 CA--C 1.552 1.04 0 C-N-CA 124.493 1.117 . . . . 0.0 110.887 174.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -55.5 -15.0 10.94 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 124.231 3.287 . . . . 0.0 116.835 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -88.2 -2.6 58.7 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.172 0.989 . . . . 0.0 112.911 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.1 145.84 55.77 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.477 1.111 . . . . 0.0 111.546 169.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -47.82 -38.64 16.36 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.043 1.337 . . . . 0.0 114.188 -177.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 mt -76.21 -37.22 58.03 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 119.39 0.995 . . . . 0.0 112.14 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.96 -42.58 73.0 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.305 0.642 . . . . 0.0 111.402 171.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 49.4 t -57.55 -46.18 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.256 1.023 . . . . 0.0 110.999 173.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.47 -49.21 75.31 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.502 1.046 . . . . 0.0 112.272 173.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -55.39 -47.21 76.21 Favored 'General case' 0 CA--C 1.55 0.942 0 C-N-CA 124.07 0.948 . . . . 0.0 112.36 173.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -64.55 -42.65 95.56 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 121.101 -0.999 . . . . 0.0 113.321 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.8 mp -63.48 -36.62 84.35 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.602 1.161 . . . . 0.0 111.96 175.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.4 mt -70.84 -32.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 123.473 0.709 . . . . 0.0 111.489 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -68.9 -35.94 71.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 CA-C-N 119.328 0.967 . . . . 0.0 111.541 171.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -64.42 -45.08 89.07 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.664 -1.272 . . . . 0.0 111.97 169.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -58.11 -54.3 48.49 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.119 0.967 . . . . 0.0 111.229 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -54.91 -36.33 65.09 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 127.386 2.275 . . . . 0.0 113.921 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -83.48 -55.11 4.48 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.993 0.917 . . . . 0.0 113.194 176.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.8 mm -92.66 -56.75 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.32 1.048 . . . . 0.0 112.508 -169.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 60.8 mtt -73.04 -17.33 61.45 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -171.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -66.82 -20.73 65.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.399 1.48 . . . . 0.0 113.586 171.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -72.85 139.7 47.11 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.861 0.864 . . . . 0.0 111.473 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.6 159.88 30.73 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.138 0.975 . . . . 0.0 113.091 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.4 p -81.23 -9.73 59.73 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.561 1.944 . . . . 0.0 112.84 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.083 0 CA-C-O 119.711 -0.494 . . . . 0.0 112.952 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -79.16 -21.21 9.4 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 124.22 3.28 . . . . 0.0 113.943 -176.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -120.74 151.14 39.93 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.955 1.302 . . . . 0.0 111.218 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.1 mmt -75.57 166.98 22.74 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.323 1.049 . . . . 0.0 112.728 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 m -68.73 -20.21 64.38 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 -176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -113.99 -61.88 1.68 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.817 1.247 . . . . 0.0 111.757 171.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -161.82 129.18 3.96 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.906 1.282 . . . . 0.0 111.428 -172.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.54 -29.59 46.52 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 34.4 t30 -65.89 -37.33 85.82 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.803 0.729 . . . . 0.0 112.766 -176.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 p -77.81 24.43 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 125.328 1.451 . . . . 0.0 113.621 176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -145.65 156.58 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 126.965 2.106 . . . . 0.0 110.917 -176.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -146.49 121.0 9.7 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.41 1.484 . . . . 0.0 107.007 169.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -60.6 -21.81 63.07 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -84.21 -40.59 17.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.351 0.66 . . . . 0.0 112.443 175.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -40.83 83.67 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 121.245 -0.909 . . . . 0.0 111.172 172.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.78 -31.51 52.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.665 1.186 . . . . 0.0 111.517 174.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -70.34 -49.26 51.22 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.186 -0.946 . . . . 0.0 111.121 169.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -67.33 -45.31 76.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.48 HG11 HG11 ' A' ' 30' ' ' VAL . 8.7 p -54.76 -24.37 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.027 1.331 . . . . 0.0 113.517 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.9 t -65.42 -43.18 91.32 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 118.451 0.569 . . . . 0.0 112.14 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -91.29 -32.77 15.6 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.667 0.787 . . . . 0.0 112.831 178.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -71.59 -39.61 70.44 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.079 1.352 . . . . 0.0 112.156 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -107.81 -2.97 19.47 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.141 1.377 . . . . 0.0 114.535 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 64.71 28.22 13.06 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.69 1.596 . . . . 0.0 113.911 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 98.3 m -118.07 159.7 22.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.507 1.923 . . . . 0.0 110.39 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.5 p -76.37 152.1 36.41 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 120.604 -1.31 . . . . 0.0 111.584 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -56.41 -44.68 80.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.087 0.555 . . . . 0.0 110.347 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 40.9 p -66.15 -27.39 67.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -70.59 -42.64 70.77 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.238 0.926 . . . . 0.0 110.552 171.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.48 HG11 HG11 ' A' ' 19' ' ' VAL . 60.9 t -70.03 -37.56 72.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.841 -0.537 . . . . 0.0 111.776 178.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.0 mtt -56.62 -41.8 77.72 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.522 169.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 13.5 t30 -57.39 -48.18 79.75 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.717 1.144 . . . . 0.0 112.586 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 m -69.65 -12.33 61.55 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 177.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 90.9 mt -97.7 -16.17 20.05 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.109 1.364 . . . . 0.0 112.314 172.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -97.42 -48.82 5.15 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.707 2.003 . . . . 0.0 112.996 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 87.7 p -142.75 -20.11 0.66 Allowed 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -173.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -75.86 169.14 54.82 Favored Glycine 0 CA--C 1.532 1.15 0 N-CA-C 110.459 -1.056 . . . . 0.0 110.459 169.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -76.08 138.72 68.74 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 122.041 -0.682 . . . . 0.0 111.38 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.23 2.2 4.02 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.779 2.986 . . . . 0.0 114.834 -175.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -109.2 7.4 25.4 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.105 1.362 . . . . 0.0 112.167 172.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -63.05 150.41 42.64 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.677 1.191 . . . . 0.0 110.912 169.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -48.58 -36.55 15.84 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 -178.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 70.3 mt -78.99 -36.74 40.84 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.994 0.815 . . . . 0.0 112.098 -178.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.58 -38.61 84.31 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 122.991 0.516 . . . . 0.0 111.363 171.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.53 -43.97 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 124.729 1.212 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.56 71.57 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.791 1.178 . . . . 0.0 111.874 173.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -54.13 -48.91 70.28 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.136 0.574 . . . . 0.0 111.779 171.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.51 -46.08 91.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.167 -0.958 . . . . 0.0 112.387 -178.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.4 mp -62.8 -36.1 82.05 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.581 1.152 . . . . 0.0 111.692 177.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 73.9 mt -72.01 -37.46 60.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.592 0.757 . . . . 0.0 111.438 175.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.3 mm -61.69 -42.53 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.987 0.915 . . . . 0.0 110.939 169.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.85 -46.1 89.48 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.977 0.808 . . . . 0.0 111.315 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -57.32 -55.33 36.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.207 -0.933 . . . . 0.0 110.899 172.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -55.28 -51.23 67.34 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 126.538 1.935 . . . . 0.0 114.096 -178.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -97.31 -36.3 10.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.231 1.012 . . . . 0.0 113.602 -170.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 21.5 mm -100.14 -27.37 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-O 118.023 -0.989 . . . . 0.0 112.647 -174.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.9 tpt 112.83 -29.62 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 131.159 3.784 . . . . 0.0 111.047 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -166.4 161.03 16.16 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.991 1.716 . . . . 0.0 112.217 -177.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -66.53 149.85 49.84 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.896 0.878 . . . . 0.0 110.926 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.44 -19.26 56.31 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -173.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.4 p -165.49 161.58 18.75 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.249 1.819 . . . . 0.0 111.381 -176.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.326 1.45 . . . . 0.0 113.154 179.506 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.993 0 CA-C-O 119.215 -0.769 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.48 -21.01 23.06 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 123.954 3.103 . . . . 0.0 114.31 -171.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -63.04 -18.88 63.83 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.553 1.07 . . . . 0.0 112.701 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 55.5 mtt -65.33 -8.7 19.54 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.553 -1.342 . . . . 0.0 113.393 172.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -74.4 -15.45 60.92 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.123 0.969 . . . . 0.0 112.286 169.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -129.72 -27.6 2.33 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.757 1.623 . . . . 0.0 113.594 -173.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -63.96 151.84 41.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.084 1.354 . . . . 0.0 112.279 174.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.45 -19.21 8.7 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 -177.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -70.42 -10.62 59.6 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 172.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.0 p -54.72 145.5 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.374 1.469 . . . . 0.0 112.395 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.8 tt -138.67 168.1 20.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.859 1.264 . . . . 0.0 112.104 178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -139.11 129.04 24.99 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.736 1.214 . . . . 0.0 109.716 171.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.48 -30.86 68.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.924 0.89 . . . . 0.0 112.721 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -68.89 -44.57 72.95 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.23 0.612 . . . . 0.0 111.184 174.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.89 -44.4 85.41 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 121.398 -0.814 . . . . 0.0 111.375 175.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.2 t -57.37 -45.0 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.164 0.893 . . . . 0.0 111.27 175.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -58.36 -46.1 86.94 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.145 0.978 . . . . 0.0 111.995 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -64.99 -47.77 76.33 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 118.635 -0.698 . . . . 0.0 112.099 175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG22 HD12 ' A' ' 50' ' ' ILE . 87.2 t -55.02 -38.1 44.68 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.961 1.304 . . . . 0.0 111.079 176.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.1 t -59.83 -34.95 73.75 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -89.16 -52.36 5.1 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.805 0.842 . . . . 0.0 111.657 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.3 tppt? -64.44 -39.85 94.62 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.851 1.661 . . . . 0.0 112.956 -173.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -103.46 -3.54 25.25 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.257 1.423 . . . . 0.0 113.964 -179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 63.79 26.93 14.53 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.82 1.648 . . . . 0.0 114.097 170.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 95.5 m -111.64 164.75 12.68 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 126.278 1.831 . . . . 0.0 111.592 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.4 p -77.26 150.78 35.31 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 121.157 -0.964 . . . . 0.0 110.705 176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -55.5 -44.39 76.52 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.512 0.725 . . . . 0.0 111.079 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -58.95 -29.17 66.95 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.701 1.2 . . . . 0.0 113.386 178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.91 -34.79 66.86 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.184 0.902 . . . . 0.0 111.415 174.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.54 -39.63 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 123.087 0.555 . . . . 0.0 110.237 174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.8 mtt -65.9 -47.18 75.66 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.67 0.788 . . . . 0.0 111.841 173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -50.42 -56.05 13.15 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.526 1.13 . . . . 0.0 112.796 -175.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.6 m -68.82 -14.42 63.02 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -175.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.5 mt -95.44 -22.36 17.74 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.57 1.148 . . . . 0.0 112.545 173.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -96.59 -44.09 7.3 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.195 1.398 . . . . 0.0 113.183 -176.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 60.8 p -137.49 -13.53 1.52 Allowed 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -170.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.59 -133.14 3.44 Favored Glycine 0 CA--C 1.53 1.031 0 C-N-CA 124.223 0.916 . . . . 0.0 111.299 169.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -140.61 139.7 20.78 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 124.45 1.1 . . . . 0.0 111.328 178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -55.93 -13.86 9.86 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 124.486 3.457 . . . . 0.0 117.232 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -91.1 -3.51 57.05 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.67 1.123 . . . . 0.0 113.083 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -67.46 151.07 48.02 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.822 1.249 . . . . 0.0 112.488 172.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -52.26 -37.77 56.33 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.762 1.225 . . . . 0.0 114.019 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.3 mt -71.64 -37.4 70.84 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.428 1.013 . . . . 0.0 112.242 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.25 -38.95 68.78 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.726 0.81 . . . . 0.0 112.095 173.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -61.73 -44.83 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.53 1.132 . . . . 0.0 110.711 171.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.23 -50.29 71.7 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.684 1.129 . . . . 0.0 111.755 172.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -53.02 -49.97 65.2 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.302 0.641 . . . . 0.0 112.306 172.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -61.27 -47.12 87.46 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 119.047 0.84 . . . . 0.0 112.24 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.36 -32.57 74.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.778 1.231 . . . . 0.0 112.405 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.498 HD12 HG22 ' A' ' 19' ' ' VAL . 73.9 mt -79.84 -34.81 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 123.763 0.825 . . . . 0.0 111.424 177.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.26 -44.98 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.954 0.901 . . . . 0.0 109.404 169.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -64.35 -44.49 91.3 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 118.906 0.775 . . . . 0.0 111.909 174.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -57.19 -44.23 83.41 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.723 0.692 . . . . 0.0 110.955 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttt180 -64.42 -45.43 87.6 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.698 1.999 . . . . 0.0 113.148 175.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -81.64 -43.22 18.87 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.937 1.295 . . . . 0.0 113.433 -172.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.0 mm -81.03 -28.34 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 124.668 1.187 . . . . 0.0 111.157 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.3 ttt 82.78 53.53 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 127.962 2.505 . . . . 0.0 109.903 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 81.3 135.18 0.06 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 130.097 3.359 . . . . 0.0 112.664 -170.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.2 mp0 -78.5 158.62 28.55 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.343 1.457 . . . . 0.0 111.821 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.79 161.63 29.42 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.862 0.865 . . . . 0.0 112.739 175.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.6 m -74.13 -14.52 60.98 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 . . . . . 0 C--O 1.254 1.299 0 C-N-CA 127.154 2.182 . . . . 0.0 113.533 -175.573 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.863 0 CA-C-O 119.376 -0.68 . . . . 0.0 112.732 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.19 161.61 22.47 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 124.611 3.541 . . . . 0.0 113.632 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.7 t60 -156.52 157.75 35.96 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.105 1.362 . . . . 0.0 111.022 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.0 ttm 72.47 -43.41 0.56 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.28 2.632 . . . . 0.0 113.799 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 m -57.58 -19.05 23.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.853 1.661 . . . . 0.0 114.996 -175.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -77.67 -16.72 58.32 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.652 1.181 . . . . 0.0 113.926 176.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -93.06 137.34 32.5 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.586 1.155 . . . . 0.0 112.991 -173.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.68 -19.85 18.61 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -63.0 -19.86 64.75 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.049 0.939 . . . . 0.0 113.356 173.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.7 m -125.18 151.23 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.792 1.237 . . . . 0.0 111.146 174.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.3 tp -147.78 168.15 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.229 1.411 . . . . 0.0 111.298 -171.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -84.75 114.1 21.81 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.67 0.748 . . . . 0.0 110.187 172.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.65 -31.18 66.05 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.02 0.928 . . . . 0.0 112.271 175.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -73.61 -40.6 63.7 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 118.85 0.75 . . . . 0.0 112.031 177.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.82 -52.35 65.45 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.782 -0.574 . . . . 0.0 110.387 172.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -63.54 -37.46 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.58 -178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.7 tptt -57.01 -50.43 72.75 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.555 1.142 . . . . 0.0 111.734 170.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -60.46 -51.46 69.39 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.594 0.634 . . . . 0.0 111.238 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 86.2 t -54.83 -42.64 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 CA-C-N 119.462 1.028 . . . . 0.0 111.991 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -53.51 -51.28 63.33 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.955 0.902 . . . . 0.0 112.482 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.58 -29.69 16.79 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -70.9 -43.49 68.2 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.137 -0.977 . . . . 0.0 111.853 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -93.64 -14.85 25.95 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.501 1.12 . . . . 0.0 113.733 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 71.69 71.51 0.17 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.929 2.092 . . . . 0.0 111.583 176.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.8 t -145.51 -146.58 0.19 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 125.894 1.678 . . . . 0.0 110.974 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 67.4 p -134.31 149.73 50.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 126.249 1.82 . . . . 0.0 110.575 172.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -55.01 -43.04 73.28 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.3 1.04 . . . . 0.0 111.291 179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.6 p -62.67 -43.0 99.92 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.782 0.833 . . . . 0.0 112.539 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -69.87 -38.88 76.54 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 118.973 0.806 . . . . 0.0 111.403 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 71.7 t -61.01 -46.97 95.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 122.945 0.498 . . . . 0.0 110.945 174.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 65.9 mtt -61.33 -41.23 96.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.299 0.64 . . . . 0.0 112.133 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -56.31 -52.36 64.83 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.301 0.955 . . . . 0.0 111.796 177.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -63.59 -19.88 65.2 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 120.588 1.54 . . . . 0.0 114.263 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.9 mt -86.9 -24.94 24.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.046 0.939 . . . . 0.0 112.664 177.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -111.5 -44.62 3.49 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -174.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.7 p -121.36 -17.52 7.59 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.339 1.456 . . . . 0.0 114.554 -171.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -86.79 -126.75 2.12 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.503 1.049 . . . . 0.0 110.961 170.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -146.2 140.07 15.1 Favored Pre-proline 0 CA--C 1.549 0.919 0 C-N-CA 124.425 1.09 . . . . 0.0 111.145 178.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -55.35 -12.65 6.04 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.71 3.607 . . . . 0.0 116.904 178.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -90.12 -7.17 54.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.596 1.158 . . . . 0.0 112.605 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -64.9 148.97 50.45 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.504 1.121 . . . . 0.0 112.201 172.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -54.05 -35.0 61.52 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 124.017 0.927 . . . . 0.0 113.479 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -74.24 -32.74 63.09 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.055 1.298 . . . . 0.0 112.572 178.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.26 -36.76 58.31 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.342 0.657 . . . . 0.0 111.934 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.69 -44.94 99.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 124.121 0.968 . . . . 0.0 110.249 169.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.01 72.72 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.797 0.839 . . . . 0.0 111.522 172.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -52.92 -47.58 67.9 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.986 0.914 . . . . 0.0 113.109 173.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -61.44 -50.18 73.84 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.417 -0.802 . . . . 0.0 112.603 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.3 mp -65.77 -39.44 91.04 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.854 1.261 . . . . 0.0 112.345 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 85.0 mt -73.58 -31.83 33.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 123.954 0.902 . . . . 0.0 111.078 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.5 mt -66.81 -41.25 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.509 1.049 . . . . 0.0 110.745 169.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.9 -41.23 95.67 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.336 0.971 . . . . 0.0 112.08 175.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -61.62 -56.35 20.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.5 0.72 . . . . 0.0 110.886 170.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.23 -39.2 56.12 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.511 1.524 . . . . 0.0 113.148 178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -84.0 -52.63 6.16 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.449 1.499 . . . . 0.0 113.842 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.4 mt -101.67 -43.05 9.77 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 124.085 0.954 . . . . 0.0 113.371 -169.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.9 ptp -134.69 71.16 1.44 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.501 1.12 . . . . 0.0 112.344 -169.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -62.59 132.35 52.09 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 123.938 0.895 . . . . 0.0 112.035 -174.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -86.86 -23.13 25.39 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.942 0.897 . . . . 0.0 112.741 178.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.58 -18.25 59.8 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -174.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.6 p -90.67 -5.23 56.06 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.347 1.459 . . . . 0.0 114.033 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 C--O 1.256 1.442 0 C-N-CA 125.252 1.421 . . . . 0.0 114.052 -179.854 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.798 0 CA-C-O 119.654 -0.526 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -74.16 161.61 40.43 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 124.202 3.268 . . . . 0.0 112.173 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -81.23 139.08 35.71 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.767 0.827 . . . . 0.0 112.19 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 92.4 mtp -79.64 157.73 27.21 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.449 0.7 . . . . 0.0 109.751 169.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -55.07 -39.06 68.84 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -169.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -69.84 -33.82 72.81 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 177.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -82.84 -28.29 30.24 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.998 1.319 . . . . 0.0 112.333 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.6 -39.91 84.75 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.327 1.051 . . . . 0.0 110.644 169.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -72.65 -37.95 67.81 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.128 0.971 . . . . 0.0 112.598 172.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.8 t 74.04 93.63 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 128.815 2.846 . . . . 0.0 109.155 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 tp -147.64 146.78 17.92 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 124.15 0.98 . . . . 0.0 112.088 -169.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -85.48 101.07 12.33 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.543 1.137 . . . . 0.0 108.604 169.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.39 -32.93 73.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.165 0.986 . . . . 0.0 112.331 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -62.51 -39.63 94.17 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.608 0.763 . . . . 0.0 111.495 171.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.22 -40.66 86.41 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.889 173.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 85.5 t -57.29 -46.38 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 CA-C-N 119.434 1.016 . . . . 0.0 110.429 176.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -59.35 -43.87 92.75 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.647 0.779 . . . . 0.0 111.657 172.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 tt0 -61.79 -42.26 98.77 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.042 -0.98 . . . . 0.0 112.179 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.0 t -60.77 -43.3 94.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.85 1.659 . . . . 0.0 111.498 173.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.66 -52.55 59.59 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 118.449 0.568 . . . . 0.0 112.452 176.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -81.61 -35.8 29.68 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 114.44 1.274 . . . . 0.0 114.44 -175.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -84.82 -44.21 13.47 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.135 0.974 . . . . 0.0 112.079 -175.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -84.55 -12.9 53.24 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 67.54 70.97 0.35 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 126.365 1.866 . . . . 0.0 111.326 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -160.33 172.57 17.09 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.443 1.897 . . . . 0.0 110.237 -171.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.1 p -91.85 148.75 21.99 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 120.42 1.464 . . . . 0.0 112.067 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -57.79 -36.68 72.52 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.341 0.657 . . . . 0.0 111.183 175.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -63.59 -40.62 97.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.825 0.85 . . . . 0.0 112.532 176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -68.34 -41.31 80.92 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.755 -0.591 . . . . 0.0 111.143 174.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.46 -48.55 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 123.375 0.67 . . . . 0.0 111.107 176.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 81.1 mmm -63.69 -35.39 80.41 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 117.963 -1.018 . . . . 0.0 113.411 177.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -51.37 -57.59 8.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 120.138 1.336 . . . . 0.0 112.402 -177.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 m -63.94 -26.22 68.49 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 121.208 -0.933 . . . . 0.0 113.216 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 79.0 mt -83.49 -22.37 32.53 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.261 1.424 . . . . 0.0 111.659 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -83.96 -41.41 17.36 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.419 1.488 . . . . 0.0 110.952 172.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.0 m -66.39 -30.92 71.4 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.434 0.694 . . . . 0.0 112.276 170.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.36 32.64 13.24 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 124.752 1.167 . . . . 0.0 113.506 171.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -100.39 108.14 51.43 Favored Pre-proline 0 CA--C 1.546 0.803 0 C-N-CA 124.563 1.145 . . . . 0.0 110.533 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -80.01 -6.49 14.09 Favored 'Trans proline' 0 CA--C 1.54 0.782 0 C-N-CA 123.46 2.773 . . . . 0.0 113.643 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -94.12 -11.68 30.0 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 119.218 0.917 . . . . 0.0 112.786 -175.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -68.32 143.36 55.21 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.715 1.206 . . . . 0.0 112.019 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -57.48 -33.51 68.07 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 -175.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.77 -27.85 40.4 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.945 1.248 . . . . 0.0 112.554 177.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.76 -37.58 64.98 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.905 0.775 . . . . 0.0 111.564 169.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.5 t -60.81 -49.97 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.546 1.139 . . . . 0.0 109.671 169.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -52.79 -47.84 67.27 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 171.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -58.37 -44.82 89.02 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.83 0.852 . . . . 0.0 113.164 177.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -61.85 -52.35 64.51 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.4 -0.813 . . . . 0.0 111.369 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.81 -33.89 72.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.253 1.421 . . . . 0.0 111.985 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 35.2 mt -78.39 -31.16 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 124.38 1.072 . . . . 0.0 112.238 176.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 6.9 mt -67.0 -39.97 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 120.075 1.307 . . . . 0.0 109.689 168.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -59.45 -44.77 92.9 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 118.613 0.642 . . . . 0.0 111.127 171.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -57.01 -57.24 13.43 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.756 1.162 . . . . 0.0 111.452 172.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.0 ttt85 -53.7 -38.42 64.23 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 127.231 2.212 . . . . 0.0 114.541 -178.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -100.77 -34.01 10.01 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.9 mt -96.03 -58.08 4.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 CA-C-N 119.575 1.08 . . . . 0.0 111.472 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -70.26 -22.93 62.82 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.495 -0.753 . . . . 0.0 112.164 -172.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -67.61 -27.83 67.23 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.968 0.907 . . . . 0.0 113.076 169.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 40.9 tp60 -99.61 -35.86 9.7 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.999 1.319 . . . . 0.0 112.121 -176.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.81 143.2 58.04 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.573 1.149 . . . . 0.0 113.09 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 p -86.86 -13.4 45.01 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -177.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.254 1.325 0 C-N-CA 127.308 2.243 . . . . 0.0 113.297 -176.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 CA-C-O 119.387 -0.674 . . . . 0.0 112.747 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -68.48 148.1 72.34 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 124.06 3.173 . . . . 0.0 111.512 -178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -166.94 167.24 14.92 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.503 1.521 . . . . 0.0 111.521 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 74.9 mtm -139.19 155.06 48.09 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.163 1.385 . . . . 0.0 111.667 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 p -73.85 -12.88 60.81 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.065 0.946 . . . . 0.0 113.237 171.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -53.49 -37.59 62.87 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.968 1.307 . . . . 0.0 113.447 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.7 -27.75 68.92 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.835 1.254 . . . . 0.0 113.433 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.09 -39.01 13.92 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.364 1.066 . . . . 0.0 111.843 170.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -73.02 -32.14 64.92 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -175.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 p -62.55 132.65 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.332 1.053 . . . . 0.0 111.353 -179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.1 tp -147.34 153.49 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.581 1.552 . . . . 0.0 111.009 -170.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -85.87 113.08 21.72 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.245 0.545 . . . . 0.0 109.623 169.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -61.68 -34.41 75.7 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 118.765 -0.636 . . . . 0.0 111.692 178.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -71.26 -37.41 71.93 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 119.113 0.869 . . . . 0.0 112.911 177.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.497 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.45 -49.21 69.98 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.012 0.823 . . . . 0.0 111.179 171.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.26 -44.85 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 CA-C-N 118.68 0.673 . . . . 0.0 111.551 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -61.12 -42.86 99.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.297 1.039 . . . . 0.0 112.777 172.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -61.07 -53.75 53.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 118.426 -0.797 . . . . 0.0 111.376 173.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.521 HG22 HD12 ' A' ' 50' ' ' ILE . 84.2 t -52.15 -37.46 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 CA-C-N 119.663 1.119 . . . . 0.0 111.913 -174.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -51.39 -51.67 52.6 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.957 0.903 . . . . 0.0 112.876 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -93.48 -33.58 13.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 113.901 1.075 . . . . 0.0 113.901 -177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -73.76 -41.24 62.73 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.924 -177.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -99.2 -14.32 19.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.805 1.242 . . . . 0.0 114.002 178.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 70.81 74.63 0.19 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.654 1.982 . . . . 0.0 111.042 176.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.1 t -155.55 -177.95 6.93 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.931 1.692 . . . . 0.0 111.272 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.8 p -93.01 141.6 28.22 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.346 1.058 . . . . 0.0 109.738 169.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -41.92 91.1 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.388 0.614 . . . . 0.0 112.516 -169.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.0 m -61.72 -28.64 69.56 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.73 1.212 . . . . 0.0 112.829 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -71.36 -30.45 66.17 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.399 -0.813 . . . . 0.0 112.047 173.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.7 t -66.32 -46.73 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 123.914 0.886 . . . . 0.0 109.516 175.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -59.55 -45.85 90.59 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.6 0.76 . . . . 0.0 110.84 173.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -55.04 -51.82 65.1 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.63 0.772 . . . . 0.0 112.339 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.7 p -69.23 -15.52 63.39 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.9 mt -88.93 -23.79 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.289 1.035 . . . . 0.0 112.116 172.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -96.63 -52.46 3.92 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.901 1.281 . . . . 0.0 113.311 -175.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.1 p -125.53 -12.78 6.66 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.14 1.376 . . . . 0.0 114.251 -171.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.33 -133.07 3.77 Favored Glycine 0 CA--C 1.531 1.058 0 C-N-CA 124.456 1.027 . . . . 0.0 111.367 169.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -141.17 137.43 16.79 Favored Pre-proline 0 CA--C 1.552 1.05 0 C-N-CA 124.562 1.145 . . . . 0.0 111.408 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -57.79 -9.74 6.24 Favored 'Trans proline' 0 CA--C 1.541 0.839 0 C-N-CA 124.451 3.434 . . . . 0.0 117.473 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.0 -2.81 58.65 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.226 1.011 . . . . 0.0 112.34 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.12 146.74 42.06 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.504 1.522 . . . . 0.0 112.276 170.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -56.56 -37.47 70.6 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.792 0.837 . . . . 0.0 113.176 -177.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.0 mt -75.25 -37.27 61.08 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.418 1.008 . . . . 0.0 111.422 178.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.75 -42.65 90.68 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.825 -0.547 . . . . 0.0 111.648 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.27 -44.98 93.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 124.627 1.171 . . . . 0.0 110.817 171.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.7 -48.13 80.44 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.742 1.155 . . . . 0.0 112.136 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -55.22 -49.06 72.94 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.765 1.226 . . . . 0.0 111.905 175.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -62.03 -46.03 90.96 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.63 -0.669 . . . . 0.0 112.664 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.37 -35.53 80.71 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.33 1.052 . . . . 0.0 112.737 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.521 HD12 HG22 ' A' ' 19' ' ' VAL . 38.1 mt -72.58 -38.36 59.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.152 0.981 . . . . 0.0 111.23 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.0 mt -63.57 -43.11 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 CA-C-N 118.727 0.694 . . . . 0.0 110.68 171.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.11 -52.13 66.66 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.414 0.686 . . . . 0.0 111.677 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -62.2 -40.56 96.49 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 121.011 -1.056 . . . . 0.0 112.189 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -59.67 -40.76 88.88 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.152 0.887 . . . . 0.0 112.706 171.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.9 ttp-105 -71.2 -54.66 10.2 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.218 1.007 . . . . 0.0 113.318 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.7 pt -105.37 -23.67 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 -169.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.2 mtt -103.77 -16.13 15.52 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 120.086 1.312 . . . . 0.0 114.319 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -64.78 -33.33 75.73 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -162.26 146.06 11.94 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.649 1.58 . . . . 0.0 109.854 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.43 56.12 1.06 Allowed 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.166 1.386 . . . . 0.0 111.994 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.3 m -69.86 -15.57 63.11 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.341 1.457 . . . . 0.0 114.358 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.594 1.957 . . . . 0.0 112.173 -178.269 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.884 0 CA-C-O 119.646 -0.53 . . . . 0.0 112.78 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.53 161.68 34.0 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 124.318 3.345 . . . . 0.0 112.085 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -62.38 -21.9 65.71 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.698 0.799 . . . . 0.0 113.071 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 91.2 mmm -63.17 -21.16 66.03 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.075 0.95 . . . . 0.0 113.467 177.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 m -69.84 -21.93 63.32 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -102.64 -28.27 12.23 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.049 1.34 . . . . 0.0 113.004 173.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -52.64 -34.39 51.17 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.134 1.374 . . . . 0.0 114.037 -175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.85 -27.84 45.42 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.046 1.338 . . . . 0.0 113.646 175.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -81.33 -17.93 47.48 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.749 1.22 . . . . 0.0 113.556 175.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 45.0 t -86.0 124.22 40.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.755 1.222 . . . . 0.0 109.395 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.5 tp -148.32 158.64 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.581 1.152 . . . . 0.0 112.538 -171.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -87.05 102.3 14.28 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.97 0.908 . . . . 0.0 108.746 169.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -62.96 -36.47 83.59 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.64 0.776 . . . . 0.0 112.346 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -63.57 -41.52 98.39 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.065 0.946 . . . . 0.0 111.324 172.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -49.09 74.44 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.602 -0.687 . . . . 0.0 110.934 173.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 75.4 t -57.02 -43.23 80.69 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 CA-C-N 119.313 0.96 . . . . 0.0 111.296 177.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -58.22 -47.99 81.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.745 0.818 . . . . 0.0 111.506 171.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -61.19 -44.39 97.37 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.51 -1.233 . . . . 0.0 112.083 176.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.7 t -57.16 -43.82 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-N 121.279 1.854 . . . . 0.0 111.469 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.3 t -52.66 -53.0 53.21 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.409 0.684 . . . . 0.0 112.18 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -84.69 -33.34 23.2 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -175.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -77.12 -48.18 18.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.974 1.309 . . . . 0.0 112.119 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -90.42 -13.51 34.78 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.462 1.105 . . . . 0.0 113.76 -176.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 71.67 70.19 0.16 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.955 2.102 . . . . 0.0 111.133 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.9 t -148.99 -174.16 4.56 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.684 1.594 . . . . 0.0 111.176 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.4 p -102.51 148.07 25.98 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.587 1.155 . . . . 0.0 111.051 175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.53 -37.82 70.99 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.711 0.804 . . . . 0.0 110.797 176.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.3 p -64.66 -39.9 94.48 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.271 1.028 . . . . 0.0 113.051 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -78.56 -34.16 47.2 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.305 0.957 . . . . 0.0 112.1 176.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.3 t -59.42 -46.18 92.91 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.627 0 CA-C-N 118.626 0.648 . . . . 0.0 110.296 169.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 85.6 mmm -59.45 -44.49 92.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.456 -0.783 . . . . 0.0 112.721 171.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -47.11 -60.67 2.31 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 112.869 -173.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -61.44 -32.72 72.7 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.729 -1.232 . . . . 0.0 113.342 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.1 mt -78.09 -25.08 47.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.427 1.091 . . . . 0.0 111.94 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -86.91 -32.62 20.08 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.603 1.161 . . . . 0.0 111.139 174.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.2 m -68.35 -32.07 71.9 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.698 1.199 . . . . 0.0 111.691 169.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.96 28.29 10.17 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 125.043 1.306 . . . . 0.0 113.803 169.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -102.78 107.76 55.69 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 124.265 1.026 . . . . 0.0 110.378 177.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.37 -8.53 13.87 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 123.423 2.749 . . . . 0.0 113.447 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -97.04 -9.46 28.08 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 124.415 1.086 . . . . 0.0 112.53 -174.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -66.01 143.88 57.09 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.587 1.155 . . . . 0.0 111.57 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -50.6 -38.48 45.86 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -77.88 -31.33 51.29 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 119.044 0.838 . . . . 0.0 111.924 -178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.23 -37.51 61.04 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.347 0.659 . . . . 0.0 111.974 171.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -60.36 -46.16 95.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 124.412 1.085 . . . . 0.0 109.934 170.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.93 -48.09 79.1 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.566 0.746 . . . . 0.0 111.872 171.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -54.87 -46.16 74.7 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.012 0.925 . . . . 0.0 112.912 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -63.34 -48.5 77.72 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.343 -0.848 . . . . 0.0 112.498 175.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.37 -38.26 90.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.357 1.063 . . . . 0.0 112.481 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 76.6 mt -74.84 -33.22 29.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.348 1.059 . . . . 0.0 111.152 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 mt -65.49 -40.31 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 CA-C-N 119.807 1.185 . . . . 0.0 110.647 169.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -60.82 -45.02 96.1 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.112 0.869 . . . . 0.0 111.422 174.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -60.66 -47.59 85.56 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.354 -0.841 . . . . 0.0 111.772 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 ttt-85 -59.78 -41.1 90.38 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.582 1.553 . . . . 0.0 113.189 179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.3 tpt85 -94.66 -38.12 10.98 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -171.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.3 mt -116.08 -24.12 3.73 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 124.673 1.189 . . . . 0.0 112.503 -170.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 43.8 ttm 95.93 -23.83 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 130.139 3.376 . . . . 0.0 111.423 -171.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 73.57 -51.46 0.7 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 128.905 2.882 . . . . 0.0 113.285 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -144.16 160.99 39.98 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.361 1.864 . . . . 0.0 110.262 -177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 68.29 10.41 7.83 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.643 1.977 . . . . 0.0 115.13 173.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.7 p -76.12 -13.57 60.2 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.843 1.257 . . . . 0.0 114.336 178.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--O 1.255 1.362 0 C-N-CA 127.331 2.253 . . . . 0.0 113.187 -179.125 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.881 0 CA-C-O 119.546 -0.585 . . . . 0.0 113.048 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.04 166.11 29.85 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.249 3.3 . . . . 0.0 112.149 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.5 t60 -71.48 -20.8 62.03 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 113.226 0.825 . . . . 0.0 113.226 179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 23.2 ptp -158.3 157.98 33.51 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.128 1.771 . . . . 0.0 111.964 -179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 m -82.35 5.04 21.56 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 -171.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -147.2 170.23 17.67 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.863 1.665 . . . . 0.0 113.435 -171.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -164.96 163.45 20.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.154 1.782 . . . . 0.0 111.857 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.62 -17.53 38.37 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -78.88 -26.94 43.91 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.469 1.107 . . . . 0.0 113.469 -175.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.2 p -42.97 134.86 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.925 2.09 . . . . 0.0 113.977 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.2 tt -80.76 159.79 4.12 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 124.708 1.203 . . . . 0.0 112.749 -175.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -105.66 118.65 37.12 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.597 -0.69 . . . . 0.0 111.144 169.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -60.54 -29.77 69.35 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.952 0.901 . . . . 0.0 112.721 176.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -70.25 -41.84 72.99 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.043 0.838 . . . . 0.0 111.134 176.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.13 -47.72 78.85 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 118.718 -0.658 . . . . 0.0 110.951 172.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.6 t -54.52 -50.32 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 CA-C-N 119.235 0.925 . . . . 0.0 111.284 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -59.59 -39.63 84.78 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.797 0.726 . . . . 0.0 112.435 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -67.35 -39.65 85.78 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 118.625 -0.703 . . . . 0.0 111.936 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 68.9 t -59.0 -43.91 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.901 1.228 . . . . 0.0 111.203 172.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.9 m -58.18 -39.54 79.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.207 0.912 . . . . 0.0 112.483 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -72.89 -53.8 10.4 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.331 1.053 . . . . 0.0 111.877 178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -63.57 -48.27 78.13 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 125.294 1.437 . . . . 0.0 112.539 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -96.26 -6.97 36.75 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.894 1.678 . . . . 0.0 114.013 -169.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 69.0 24.61 6.18 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.649 1.979 . . . . 0.0 113.986 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 31.8 p -104.49 -177.48 3.38 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.533 1.933 . . . . 0.0 112.803 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -106.67 156.87 18.17 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.318 1.847 . . . . 0.0 111.063 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.6 -45.73 66.68 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 124.308 1.043 . . . . 0.0 111.005 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.0 m -58.07 -29.79 65.69 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.696 1.198 . . . . 0.0 113.198 179.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -77.16 -37.65 53.36 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.778 0.717 . . . . 0.0 110.96 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.19 -43.91 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.116 0.566 . . . . 0.0 110.289 175.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mmt -57.86 -47.82 81.58 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.739 1.216 . . . . 0.0 111.791 173.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -52.1 -56.05 16.93 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.577 0.751 . . . . 0.0 112.474 -175.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.5 m -70.11 -13.69 62.32 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -174.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 75.8 mt -94.18 -20.91 19.43 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.692 1.197 . . . . 0.0 112.715 174.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -111.05 -36.74 5.56 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.728 1.211 . . . . 0.0 114.116 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.9 m -131.92 -18.88 2.64 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -174.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -88.99 -131.36 4.05 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.163 0.887 . . . . 0.0 111.238 170.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -145.55 141.85 17.4 Favored Pre-proline 0 CA--C 1.55 0.952 0 C-N-CA 124.645 1.178 . . . . 0.0 111.135 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_exo -53.35 -17.53 9.09 Favored 'Trans proline' 0 C--N 1.356 0.93 0 C-N-CA 124.693 3.595 . . . . 0.0 117.128 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -84.03 -9.9 58.28 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.598 1.159 . . . . 0.0 112.623 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -68.13 148.66 50.61 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.478 1.111 . . . . 0.0 112.323 174.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -50.05 -42.46 49.8 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.369 1.468 . . . . 0.0 113.523 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.79 -32.93 71.66 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.242 0.928 . . . . 0.0 112.267 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.01 -36.48 35.86 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.607 0.763 . . . . 0.0 112.567 173.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 41.4 t -62.44 -42.73 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.182 0.993 . . . . 0.0 110.549 172.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.96 -51.58 63.39 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.032 0.933 . . . . 0.0 111.287 170.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -56.64 -47.27 80.1 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.341 1.056 . . . . 0.0 113.245 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 65.2 m80 -63.2 -47.87 80.71 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 118.967 0.803 . . . . 0.0 112.24 177.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -63.01 -37.13 85.94 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.065 0.946 . . . . 0.0 112.335 178.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.2 mt -72.55 -35.78 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.722 0.809 . . . . 0.0 111.854 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.5 mt -64.5 -42.05 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 CA-C-N 119.63 1.105 . . . . 0.0 111.128 169.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -59.69 -48.36 81.99 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.417 1.008 . . . . 0.0 112.104 173.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -59.02 -45.58 90.34 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.191 -0.943 . . . . 0.0 111.294 174.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -59.47 -43.81 93.15 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.126 1.37 . . . . 0.0 113.246 179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -90.8 -32.51 16.07 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -176.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.2 mm -92.92 -39.61 11.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 CA-C-N 119.353 0.978 . . . . 0.0 112.454 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.0 tpt -131.74 58.35 1.74 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.043 1.337 . . . . 0.0 111.501 -170.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -60.35 -16.02 31.17 Favored 'General case' 0 CA--C 1.552 1.043 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -74.4 -12.15 60.44 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.781 1.232 . . . . 0.0 113.462 174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.67 113.89 1.82 Allowed 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 119.323 0.965 . . . . 0.0 110.854 176.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.7 m -112.89 7.37 18.28 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 C--O 1.252 1.21 0 C-N-CA 126.107 1.763 . . . . 0.0 111.857 179.379 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.107 0 CA-C-O 119.382 -0.677 . . . . 0.0 112.733 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.71 148.01 70.75 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 123.809 3.006 . . . . 0.0 111.829 -178.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.2 p-80 -166.83 176.34 7.14 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.472 1.509 . . . . 0.0 111.064 -173.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -52.8 108.67 0.33 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.941 1.697 . . . . 0.0 111.802 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 m -142.04 -26.43 0.65 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -169.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -155.49 154.96 32.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.638 1.175 . . . . 0.0 112.645 -170.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -53.26 -37.91 62.56 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.848 1.659 . . . . 0.0 114.78 -171.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.73 -23.01 49.5 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 177.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.33 -27.02 13.41 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.934 1.294 . . . . 0.0 114.171 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 22.5 m -65.48 151.03 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 119.168 0.895 . . . . 0.0 112.629 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 tt -82.59 153.97 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.655 1.182 . . . . 0.0 111.175 174.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -93.16 112.08 23.91 Favored 'General case' 0 N--CA 1.471 0.619 0 O-C-N 121.493 -0.755 . . . . 0.0 110.483 169.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -58.6 -31.09 67.73 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.092 0.957 . . . . 0.0 112.292 175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -72.21 -38.81 68.92 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.366 0.53 . . . . 0.0 111.656 176.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -66.83 -45.25 78.84 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.61 -0.681 . . . . 0.0 110.915 173.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 53.1 t -56.41 -46.14 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.388 0.995 . . . . 0.0 110.89 175.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -61.99 -41.65 98.27 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 123.568 0.747 . . . . 0.0 112.496 174.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tp10 -65.92 -46.31 78.74 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.633 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.522 HG22 HD12 ' A' ' 50' ' ' ILE . 64.8 t -56.21 -39.21 58.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 124.582 1.153 . . . . 0.0 111.273 177.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.9 t -56.03 -37.0 68.62 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 174.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -85.09 -54.69 4.47 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.078 0.951 . . . . 0.0 111.523 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -64.67 -42.44 95.39 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.464 1.906 . . . . 0.0 113.221 -173.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -98.12 -7.97 28.53 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.488 1.515 . . . . 0.0 114.047 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 69.66 24.95 5.32 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.472 1.909 . . . . 0.0 114.402 170.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 19.8 p -103.22 -178.86 3.79 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.041 1.736 . . . . 0.0 112.375 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.0 p -86.85 151.58 23.22 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.957 0.903 . . . . 0.0 109.946 169.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -59.55 -45.62 91.28 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.529 0.732 . . . . 0.0 111.306 -179.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -58.93 -31.49 68.72 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.922 0.889 . . . . 0.0 112.788 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -72.51 -30.33 64.39 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.657 -0.652 . . . . 0.0 112.135 175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.9 t -64.99 -49.39 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.791 0.723 . . . . 0.0 109.469 172.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 84.4 mtp -61.51 -42.85 99.43 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.59 0.756 . . . . 0.0 111.708 179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -52.62 -56.34 16.06 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.109 0.964 . . . . 0.0 112.24 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.2 m -65.72 -16.73 64.04 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 51.1 mt -94.91 -23.33 17.48 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.076 1.35 . . . . 0.0 112.384 176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -101.97 -37.91 8.01 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.95 1.3 . . . . 0.0 113.323 -174.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.9 p -141.83 -11.68 0.88 Allowed 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -173.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.2 -130.3 3.0 Favored Glycine 0 CA--C 1.534 1.238 0 CA-C-N 119.167 0.894 . . . . 0.0 111.099 169.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -140.93 138.52 18.2 Favored Pre-proline 0 CA--C 1.55 0.966 0 C-N-CA 124.479 1.112 . . . . 0.0 111.435 177.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.41 -18.35 14.51 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 124.505 3.47 . . . . 0.0 116.887 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -89.6 -3.86 58.09 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 124.243 1.017 . . . . 0.0 112.995 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.38 147.93 52.59 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.228 1.011 . . . . 0.0 112.04 170.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -50.99 -38.75 53.05 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -175.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.97 -36.83 69.94 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.899 0.88 . . . . 0.0 112.021 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.16 -36.44 64.09 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.365 0.666 . . . . 0.0 112.026 172.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.88 -43.16 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.97 0.908 . . . . 0.0 110.832 173.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.33 71.95 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.242 0.928 . . . . 0.0 111.625 170.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -56.8 -45.8 82.01 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.098 0.959 . . . . 0.0 113.192 174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 60.0 m80 -64.06 -45.42 88.84 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 119.28 0.946 . . . . 0.0 112.559 176.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.8 mt -61.93 -38.13 87.3 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.527 1.131 . . . . 0.0 112.236 176.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.522 HD12 HG22 ' A' ' 19' ' ' VAL . 63.4 mt -74.28 -34.81 38.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.144 0.978 . . . . 0.0 111.575 178.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 15.1 mt -65.2 -40.16 87.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 CA-C-N 119.354 0.979 . . . . 0.0 110.991 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -62.56 -42.88 99.82 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 120.444 1.475 . . . . 0.0 112.389 172.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -56.74 -51.87 67.18 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.335 0.97 . . . . 0.0 110.918 173.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 41.9 ttt85 -58.81 -41.61 87.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.694 1.998 . . . . 0.0 113.651 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -79.11 -43.77 23.41 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.81 1.644 . . . . 0.0 113.188 -176.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 83.5 mt -87.43 -62.18 1.61 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 124.147 0.979 . . . . 0.0 110.893 -173.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -175.61 128.19 0.25 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.738 1.615 . . . . 0.0 109.881 -171.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -76.76 63.0 2.1 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.894 0.877 . . . . 0.0 113.019 -178.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -70.21 145.46 51.4 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.692 1.197 . . . . 0.0 110.426 174.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -158.98 165.31 34.35 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.618 1.567 . . . . 0.0 111.564 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.0 p -80.37 161.52 24.96 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.581 1.152 . . . . 0.0 113.211 175.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.254 1.312 0 C-N-CA 125.839 1.656 . . . . 0.0 112.241 -178.448 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 CA-C-O 119.551 -0.583 . . . . 0.0 112.996 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -75.16 162.05 37.33 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 124.278 3.319 . . . . 0.0 112.061 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -79.43 0.25 30.13 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 39.5 tpp -152.69 136.13 15.92 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 126.375 1.87 . . . . 0.0 110.69 -176.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.0 p -84.33 -23.87 30.03 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.49 1.116 . . . . 0.0 113.579 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -68.45 136.06 52.65 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.443 1.097 . . . . 0.0 112.319 174.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -170.07 153.98 4.88 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 127.08 2.152 . . . . 0.0 109.853 -175.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.2 -32.0 22.29 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.655 1.182 . . . . 0.0 113.926 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -68.32 -21.62 64.75 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 175.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 37.5 t -91.65 80.55 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.581 1.552 . . . . 0.0 108.255 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -73.41 163.34 4.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.39 1.076 . . . . 0.0 112.566 -171.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -136.09 125.08 24.25 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.258 0.623 . . . . 0.0 110.907 169.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -57.09 -35.5 69.48 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.676 1.19 . . . . 0.0 112.21 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.96 -40.36 75.46 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.919 0.781 . . . . 0.0 111.768 177.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.42 -53.23 25.05 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.865 -0.522 . . . . 0.0 111.244 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.8 -48.87 80.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 124.069 0.947 . . . . 0.0 110.49 -176.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -70.41 -22.61 62.71 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -81.06 -32.76 33.86 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-O 117.736 -1.126 . . . . 0.0 112.55 171.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.4 t -53.95 -35.83 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 CA-C-N 120.884 1.675 . . . . 0.0 111.372 170.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.8 m -54.78 -33.98 62.1 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.957 0.903 . . . . 0.0 113.107 174.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -93.29 -53.62 4.02 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.011 1.325 . . . . 0.0 111.586 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -59.72 -40.91 89.56 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.598 1.159 . . . . 0.0 112.795 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -109.28 -1.71 18.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.475 1.51 . . . . 0.0 113.885 -171.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 64.54 29.63 13.13 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.008 1.723 . . . . 0.0 113.541 175.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.8 t -102.72 -163.4 0.99 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.276 1.431 . . . . 0.0 112.029 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.2 p -128.24 149.04 50.64 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.962 1.705 . . . . 0.0 110.904 177.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -56.62 -44.42 81.16 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.673 0.789 . . . . 0.0 110.905 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.4 m -61.27 -35.09 76.33 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.374 -0.829 . . . . 0.0 112.993 178.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -77.96 -39.38 42.73 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 121.728 -0.608 . . . . 0.0 110.892 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -64.4 -41.65 92.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 123.812 0.845 . . . . 0.0 111.395 175.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 94.5 mtp -61.64 -39.88 92.93 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 117.846 -1.073 . . . . 0.0 112.373 173.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -51.33 -55.83 16.29 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 120.522 1.51 . . . . 0.0 113.539 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.2 m -61.54 -29.99 70.36 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.754 -1.216 . . . . 0.0 113.028 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 94.6 mt -84.18 -23.4 30.58 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.22 1.408 . . . . 0.0 112.12 -179.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -80.14 -33.75 38.27 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.755 1.222 . . . . 0.0 110.547 169.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -69.29 -32.32 71.4 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.585 1.154 . . . . 0.0 110.961 169.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 92.53 22.83 27.91 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.607 1.575 . . . . 0.0 113.813 169.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -99.87 112.24 63.44 Favored Pre-proline 0 CA--C 1.547 0.865 0 CA-C-N 118.262 1.031 . . . . 0.0 111.328 -177.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -76.66 -7.44 17.64 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.628 2.886 . . . . 0.0 113.717 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -88.96 -17.46 29.46 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 119.217 0.917 . . . . 0.0 112.69 -170.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -68.22 146.25 53.54 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.891 1.277 . . . . 0.0 112.114 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -56.71 -37.11 70.47 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.737 0.815 . . . . 0.0 113.082 -175.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.55 -33.03 64.5 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 119.229 0.922 . . . . 0.0 111.976 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.02 -39.6 69.06 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.195 0.598 . . . . 0.0 111.782 171.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.5 t -58.57 -43.7 87.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 123.877 0.871 . . . . 0.0 110.586 170.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.17 82.87 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.441 1.019 . . . . 0.0 112.379 173.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -53.17 -45.95 68.7 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.19 0.996 . . . . 0.0 111.909 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 8.0 t-80 -64.17 -48.64 75.17 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.274 0.63 . . . . 0.0 111.725 179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.27 -37.61 86.15 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.78 1.232 . . . . 0.0 112.173 178.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 60.3 mt -67.86 -40.68 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 O-C-N 121.608 -0.682 . . . . 0.0 111.253 174.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.7 mt -63.83 -39.84 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 119.442 1.019 . . . . 0.0 111.232 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -60.92 -45.96 92.56 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.277 0.944 . . . . 0.0 112.02 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -63.45 -43.32 97.72 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.491 -0.756 . . . . 0.0 111.879 175.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -64.55 -37.29 87.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.896 1.678 . . . . 0.0 112.904 178.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -80.64 -53.42 6.56 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.261 1.424 . . . . 0.0 112.911 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.5 mm -95.67 -41.89 12.03 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.288 1.035 . . . . 0.0 113.336 -169.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.8 mtt -108.26 34.87 3.39 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.694 1.598 . . . . 0.0 112.169 -170.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -63.32 -20.79 65.81 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 -169.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -160.61 135.3 7.51 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.25 1.42 . . . . 0.0 110.958 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.66 78.08 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.738 0.815 . . . . 0.0 112.591 -177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.9 m 70.39 8.66 6.7 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.189 1.796 . . . . 0.0 114.876 169.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.693 1.997 . . . . 0.0 112.134 -178.829 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.812 0 CA-C-O 119.686 -0.508 . . . . 0.0 112.796 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -74.48 164.82 33.1 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.253 3.302 . . . . 0.0 111.956 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.3 p80 -77.85 -2.68 37.77 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptt? 59.13 -19.56 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 130.855 3.662 . . . . 0.0 117.778 172.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.2 p -78.74 2.79 18.5 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.06 1.744 . . . . 0.0 114.207 174.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -60.37 149.04 35.06 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.799 1.24 . . . . 0.0 114.189 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -152.1 148.57 27.82 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.161 1.784 . . . . 0.0 110.265 169.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.66 -25.71 67.47 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -115.01 -39.53 3.65 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.925 1.29 . . . . 0.0 113.088 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.3 t 77.32 115.42 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 129.029 2.932 . . . . 0.0 110.863 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 2.4 tt -147.67 158.95 8.5 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 125.544 1.537 . . . . 0.0 111.192 177.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -109.64 113.68 26.66 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.283 0.633 . . . . 0.0 109.53 169.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -61.14 -24.26 66.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.538 0.735 . . . . 0.0 112.841 177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -75.18 -39.79 59.97 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 118.849 0.75 . . . . 0.0 111.552 172.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.12 87.61 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.224 -0.922 . . . . 0.0 111.198 174.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.0 t -57.37 -46.44 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.184 0.994 . . . . 0.0 110.919 172.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -59.13 -47.32 85.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.177 0.991 . . . . 0.0 111.855 173.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -63.75 -55.22 24.88 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.433 -0.794 . . . . 0.0 111.944 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.41 -29.91 45.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 120.387 1.448 . . . . 0.0 113.285 -177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.7 t -55.02 -43.19 73.47 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.573 0.624 . . . . 0.0 112.02 172.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -93.59 -50.09 5.57 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.449 1.1 . . . . 0.0 111.472 -176.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -62.29 -43.02 99.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.096 1.358 . . . . 0.0 111.879 -173.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -92.44 -10.62 37.27 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.631 1.172 . . . . 0.0 114.085 176.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 66.51 77.29 0.28 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.885 2.074 . . . . 0.0 111.923 176.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.5 t -149.23 -148.61 0.27 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.403 1.481 . . . . 0.0 111.104 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -133.4 148.07 51.79 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.013 1.725 . . . . 0.0 110.57 175.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.24 -39.69 83.59 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.354 0.662 . . . . 0.0 110.934 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.2 m -62.56 -41.3 98.83 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.524 -0.735 . . . . 0.0 112.611 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -74.88 -39.12 61.68 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.556 0.616 . . . . 0.0 111.371 177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.5 t -56.43 -51.48 64.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 123.863 0.865 . . . . 0.0 110.981 173.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 97.8 mtp -66.48 -34.66 78.43 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.409 0.683 . . . . 0.0 111.931 177.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 33.4 t30 -59.38 -47.83 83.93 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 119.643 1.11 . . . . 0.0 111.657 173.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 63.5 m -64.83 -16.27 62.89 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 120.212 1.369 . . . . 0.0 114.266 176.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 59.3 mt -97.09 -15.84 20.8 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.732 1.213 . . . . 0.0 113.095 177.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -110.66 -50.2 2.98 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.225 1.41 . . . . 0.0 112.401 -178.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.4 m -89.61 -32.77 16.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.59 1.556 . . . . 0.0 112.124 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -95.5 -157.78 32.27 Favored Glycine 0 CA--C 1.533 1.2 0 C-N-CA 125.219 1.39 . . . . 0.0 112.837 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -147.13 168.29 11.69 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 125.579 1.552 . . . . 0.0 111.797 177.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -59.85 20.93 0.04 OUTLIER 'Trans proline' 0 CA--C 1.544 1.009 1 C-N-CA 126.533 4.822 . . . . 0.0 118.44 -177.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -109.84 -16.43 13.88 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.588 1.555 . . . . 0.0 111.814 172.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -69.82 140.17 53.25 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.928 0.891 . . . . 0.0 110.877 169.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -49.85 -38.18 34.1 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.803 1.241 . . . . 0.0 114.108 -176.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.8 mt -74.88 -37.08 62.23 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.263 0.938 . . . . 0.0 111.854 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.37 -36.94 68.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.72 0.808 . . . . 0.0 111.85 174.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.15 -50.66 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 124.73 1.212 . . . . 0.0 110.205 170.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.6 -46.05 84.53 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.981 0.81 . . . . 0.0 111.969 176.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -56.01 -47.47 77.71 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.513 1.125 . . . . 0.0 112.263 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -62.86 -45.16 93.88 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.273 -0.892 . . . . 0.0 112.634 177.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 mp -62.0 -38.16 87.57 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.172 1.389 . . . . 0.0 111.972 174.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.7 mt -71.01 -35.14 58.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.051 0.94 . . . . 0.0 111.547 176.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.6 mt -64.56 -42.21 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.544 1.065 . . . . 0.0 111.273 169.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -59.67 -41.95 91.8 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.366 0.984 . . . . 0.0 111.966 174.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -61.61 -56.07 23.84 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.274 0.63 . . . . 0.0 111.18 172.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -54.46 -33.67 60.05 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 126.908 2.083 . . . . 0.0 113.776 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -82.21 -56.78 3.71 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.525 1.53 . . . . 0.0 112.367 176.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.7 mt -94.97 -59.34 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 123.858 0.863 . . . . 0.0 111.69 -170.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.3 mmt -65.91 -31.58 72.59 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 118.299 0.5 . . . . 0.0 112.132 -170.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -56.59 -30.59 63.37 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.136 1.774 . . . . 0.0 113.477 170.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -98.21 -35.75 10.26 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.351 1.06 . . . . 0.0 112.08 177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.75 -32.65 62.15 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.2 t -89.69 156.44 18.55 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.362 1.065 . . . . 0.0 112.93 177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.568 1.947 . . . . 0.0 112.428 -177.771 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.033 0 CA-C-O 119.323 -0.709 . . . . 0.0 112.825 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.53 134.98 64.64 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 124.308 3.339 . . . . 0.0 112.536 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.45 -8.21 59.41 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -177.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.0 tpp -157.4 147.98 21.15 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.409 1.884 . . . . 0.0 110.634 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -176.92 153.5 1.03 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.593 2.757 . . . . 0.0 109.443 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -155.21 150.59 27.17 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.22 1.008 . . . . 0.0 113.04 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -92.78 155.77 17.45 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.157 1.383 . . . . 0.0 111.371 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.83 -28.79 16.88 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.637 1.175 . . . . 0.0 113.824 176.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -67.39 -16.92 64.51 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 174.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.2 t -77.53 123.55 34.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 171.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.6 tt -141.18 159.95 22.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.604 0.761 . . . . 0.0 112.638 -169.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -126.21 127.49 45.75 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.983 1.313 . . . . 0.0 109.439 174.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -57.93 -32.49 67.83 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.935 0.894 . . . . 0.0 112.473 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -70.68 -41.28 72.23 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.131 0.572 . . . . 0.0 111.519 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.2 -47.9 77.97 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 118.93 -0.557 . . . . 0.0 110.519 175.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 86.3 t -60.25 -41.21 86.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 119.14 0.882 . . . . 0.0 111.136 178.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.32 -44.26 96.91 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 119.126 0.875 . . . . 0.0 111.661 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -64.67 -43.31 93.98 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.531 0.732 . . . . 0.0 111.696 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.5 t -60.12 -43.18 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 119.412 1.006 . . . . 0.0 111.027 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.0 t -58.66 -44.0 90.0 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.427 0.691 . . . . 0.0 111.755 176.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -68.41 -53.89 20.74 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.372 1.069 . . . . 0.0 112.211 177.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -65.32 -45.18 85.32 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.927 1.291 . . . . 0.0 113.151 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -97.89 -7.88 29.35 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.882 1.273 . . . . 0.0 114.031 -171.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 65.56 26.24 11.68 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.999 1.719 . . . . 0.0 113.809 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 84.3 m -117.19 154.08 31.74 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.432 1.893 . . . . 0.0 110.526 177.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 64.9 p -69.38 153.14 44.04 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.039 0.836 . . . . 0.0 112.009 -174.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -53.77 -41.3 67.02 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.15 0.98 . . . . 0.0 110.754 171.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.1 p -63.3 -34.55 77.94 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.035 0.934 . . . . 0.0 113.346 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -78.35 -39.5 39.21 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.094 0.861 . . . . 0.0 110.74 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -61.04 -42.57 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 123.708 0.803 . . . . 0.0 111.308 174.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.73 -37.74 88.63 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.416 -0.802 . . . . 0.0 112.669 172.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -54.31 -56.17 21.12 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 120.122 1.328 . . . . 0.0 113.079 -173.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -60.83 -28.18 68.62 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 120.95 -1.094 . . . . 0.0 112.993 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.67 -25.06 31.04 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.05 1.34 . . . . 0.0 112.167 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -78.35 -39.64 38.81 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.938 1.295 . . . . 0.0 110.914 170.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 t -63.52 -36.27 83.21 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.708 0.803 . . . . 0.0 110.935 169.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.38 25.04 17.1 Favored Glycine 0 N--CA 1.469 0.897 0 C-N-CA 125.11 1.338 . . . . 0.0 114.05 169.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -98.81 111.18 59.89 Favored Pre-proline 0 CA--C 1.546 0.795 0 C-N-CA 124.182 0.993 . . . . 0.0 111.267 -178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -76.18 -6.41 17.22 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.455 2.77 . . . . 0.0 113.585 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -90.16 -15.93 30.53 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.167 0.894 . . . . 0.0 112.227 -171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -71.27 144.85 49.88 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.73 1.212 . . . . 0.0 112.119 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -51.06 -36.1 38.13 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.2 mt -79.59 -30.07 41.42 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.105 0.866 . . . . 0.0 111.915 -179.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.33 -38.82 65.65 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.408 0.683 . . . . 0.0 111.683 169.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.5 t -59.1 -46.76 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 C-N-CA 124.164 0.986 . . . . 0.0 110.082 169.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.07 -49.47 75.74 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.132 0.878 . . . . 0.0 112.093 173.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -51.5 -47.84 63.12 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.742 1.217 . . . . 0.0 112.624 172.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -63.49 -49.99 71.43 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 121.459 -0.776 . . . . 0.0 112.291 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mp -63.26 -34.18 77.1 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.305 1.442 . . . . 0.0 112.557 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 62.1 mt -82.69 -33.53 10.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 CA-C-O 118.431 -0.795 . . . . 0.0 112.144 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.8 mt -66.73 -40.16 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 120.003 1.274 . . . . 0.0 110.237 169.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -57.39 -48.28 79.48 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.926 0.89 . . . . 0.0 111.754 170.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -59.17 -48.59 81.06 Favored 'General case' 0 CA--C 1.547 0.861 0 O-C-N 121.281 -0.887 . . . . 0.0 111.722 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 49.9 ttt85 -60.97 -43.1 99.25 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.961 1.704 . . . . 0.0 113.983 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.5 tpt85 -99.82 -35.1 9.89 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.155 0.982 . . . . 0.0 113.632 -170.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 64.5 mt -115.4 -21.06 5.48 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 125.07 1.348 . . . . 0.0 111.796 -172.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 61.14 26.63 16.51 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.138 1.375 . . . . 0.0 110.891 -172.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 66.7 -30.0 0.14 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 129.339 3.056 . . . . 0.0 114.801 -173.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -162.01 142.58 10.41 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.553 1.941 . . . . 0.0 110.086 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.85 -15.99 58.63 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 -174.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.7 t -164.3 176.61 8.98 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 126.715 2.006 . . . . 0.0 110.198 179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 C--O 1.254 1.323 0 C-N-CA 125.577 1.551 . . . . 0.0 114.728 -179.86 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.867 0 CA-C-O 119.309 -0.717 . . . . 0.0 112.79 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -59.23 156.54 34.54 Favored 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 124.778 3.652 . . . . 0.0 113.745 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -79.03 148.0 32.65 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.715 0.806 . . . . 0.0 112.507 176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt -80.92 159.05 25.06 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.977 0.911 . . . . 0.0 112.102 176.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -78.27 27.7 0.19 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.387 1.475 . . . . 0.0 113.963 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -55.71 -35.31 65.96 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.529 -1.357 . . . . 0.0 112.587 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -60.85 -25.48 66.68 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.322 1.449 . . . . 0.0 113.992 176.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -89.67 -34.29 16.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.565 1.146 . . . . 0.0 112.115 172.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -81.04 -30.55 34.8 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -176.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.81 139.95 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.619 1.168 . . . . 0.0 112.335 -177.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.7 tt -145.6 151.2 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.745 1.618 . . . . 0.0 110.872 178.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -92.76 102.53 14.93 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.547 0.739 . . . . 0.0 109.971 171.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.71 -30.97 71.99 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.875 0.87 . . . . 0.0 112.816 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -66.58 -42.31 87.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.4 0.68 . . . . 0.0 111.185 171.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -63.87 -50.83 67.28 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.988 0.515 . . . . 0.0 110.69 175.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -51.26 -52.19 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 124.955 1.302 . . . . 0.0 111.033 176.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -58.3 -43.74 88.22 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.22 1.008 . . . . 0.0 112.497 173.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 62.0 tt0 -64.94 -38.3 90.5 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 117.785 -1.102 . . . . 0.0 112.585 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 15' ' ' ALA . 4.0 t -56.17 -32.39 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 CA-C-N 120.849 1.659 . . . . 0.0 112.024 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -65.21 -28.56 69.46 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -93.12 -50.67 5.4 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.589 1.156 . . . . 0.0 111.67 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -70.41 -48.13 57.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.998 1.319 . . . . 0.0 112.454 -173.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -96.09 -13.36 23.7 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 67.04 19.76 10.48 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.001 1.721 . . . . 0.0 114.48 173.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 93.9 m -109.76 144.83 37.63 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.312 1.845 . . . . 0.0 108.693 169.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -67.49 147.43 52.83 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.041 0.837 . . . . 0.0 112.924 -168.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -36.06 62.59 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.871 176.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.8 m -64.81 -38.16 90.06 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 125.813 1.645 . . . . 0.0 113.126 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -71.85 -39.49 69.68 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.701 0.682 . . . . 0.0 110.941 172.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.17 -45.86 97.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.197 0.999 . . . . 0.0 111.425 177.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.1 mtm -63.62 -35.8 81.73 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 118.129 -0.939 . . . . 0.0 112.483 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.44 -53.1 58.73 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 120.469 1.486 . . . . 0.0 112.56 -176.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 -30.48 70.69 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 120.776 -1.203 . . . . 0.0 112.855 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 82.4 mt -82.52 -22.01 35.19 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.02 1.328 . . . . 0.0 111.919 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -84.24 -33.65 24.03 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.184 1.394 . . . . 0.0 110.945 170.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.9 m -68.23 -32.63 72.97 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.712 1.205 . . . . 0.0 111.44 169.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 94.59 24.2 18.98 Favored Glycine 0 C--N 1.342 0.915 0 C-N-CA 125.279 1.418 . . . . 0.0 114.276 169.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -103.47 110.13 63.2 Favored Pre-proline 0 CA--C 1.548 0.87 0 CA-C-N 118.355 1.077 . . . . 0.0 111.399 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -78.02 -6.92 16.15 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.549 2.833 . . . . 0.0 113.607 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -88.99 -15.62 33.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.937 0.895 . . . . 0.0 112.23 -173.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.58 143.21 57.17 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.072 1.349 . . . . 0.0 112.096 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -54.0 -35.65 62.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.264 1.025 . . . . 0.0 113.239 -176.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.3 mt -80.69 -30.77 36.41 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.439 1.018 . . . . 0.0 112.512 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.39 -38.43 77.99 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.096 0.558 . . . . 0.0 111.214 169.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -61.43 -48.76 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.747 1.219 . . . . 0.0 110.471 170.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -53.99 -49.7 68.24 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.682 1.128 . . . . 0.0 111.944 173.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.25 -47.31 75.61 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.477 1.111 . . . . 0.0 112.795 173.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -61.49 -48.62 80.27 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.127 -0.983 . . . . 0.0 112.208 177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.06 -40.8 86.29 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.033 1.333 . . . . 0.0 111.561 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.0 mt -69.57 -33.37 56.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.945 0.898 . . . . 0.0 111.766 177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.4 mt -65.64 -44.64 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 119.617 1.098 . . . . 0.0 110.701 169.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -59.34 -46.14 89.45 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.118 0.872 . . . . 0.0 111.422 175.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -61.37 -42.39 98.63 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.343 -0.848 . . . . 0.0 112.19 173.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 38.8 ttt-85 -61.46 -38.21 86.39 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.569 1.148 . . . . 0.0 112.757 176.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -75.6 -48.01 24.1 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.465 1.106 . . . . 0.0 113.201 174.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 85.8 mt -86.18 -63.55 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 C-N-CA 124.266 1.027 . . . . 0.0 111.599 -171.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mmm -178.91 141.53 0.19 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.759 2.424 . . . . 0.0 110.645 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -76.94 -8.92 58.24 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -169.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -159.55 154.91 25.45 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.208 1.803 . . . . 0.0 110.39 -175.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.72 -23.39 58.58 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.869 1.062 . . . . 0.0 113.869 -174.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 t -165.34 167.41 17.82 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.652 1.981 . . . . 0.0 110.22 178.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--O 1.254 1.314 0 C-N-CA 125.292 1.437 . . . . 0.0 113.579 -179.101 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.988 0 CA-C-O 119.651 -0.527 . . . . 0.0 112.679 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -65.99 133.57 33.95 Favored 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.691 2.927 . . . . 0.0 111.267 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -87.84 -18.15 29.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.62 146.43 29.13 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.212 1.405 . . . . 0.0 112.601 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -113.25 9.39 18.36 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.789 1.236 . . . . 0.0 113.252 179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -153.62 153.96 33.32 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.254 1.421 . . . . 0.0 112.659 -173.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -150.2 139.49 21.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.454 1.901 . . . . 0.0 110.272 170.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.51 -21.77 26.76 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.191 1.182 . . . . 0.0 114.191 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -81.19 -35.44 31.36 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -176.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.3 m -60.89 140.24 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 118.98 0.809 . . . . 0.0 111.011 170.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 tt -147.06 177.12 1.24 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 C-N-CA 125.172 1.389 . . . . 0.0 111.472 -170.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -120.84 114.23 21.3 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 169.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -60.63 -29.24 69.13 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 119.315 -0.374 . . . . 0.0 111.892 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -74.37 -37.04 63.58 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.485 0.584 . . . . 0.0 112.229 177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -65.57 -45.18 84.29 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.501 -0.749 . . . . 0.0 110.776 169.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.36 -44.02 83.46 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 119.426 1.012 . . . . 0.0 111.59 176.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -63.15 -40.4 97.47 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.085 0.954 . . . . 0.0 112.392 173.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -69.09 -40.49 78.39 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.149 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.546 HG22 HD12 ' A' ' 50' ' ' ILE . 95.4 t -58.04 -40.98 79.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 CA-C-N 120.354 1.433 . . . . 0.0 110.875 174.26 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.6 t -57.04 -34.13 67.91 Favored 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 174.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -86.17 -55.6 3.85 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.237 1.015 . . . . 0.0 112.218 178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -61.75 -45.21 94.88 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.72 1.608 . . . . 0.0 112.275 -177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -97.83 -10.05 25.39 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.369 1.468 . . . . 0.0 114.181 -172.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 67.1 26.0 8.98 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.182 1.793 . . . . 0.0 114.1 171.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.8 p -102.69 177.17 4.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.051 1.74 . . . . 0.0 111.662 174.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.0 p -81.89 159.05 23.76 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.567 0.747 . . . . 0.0 110.091 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -62.98 -43.97 97.33 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.107 0.563 . . . . 0.0 111.083 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 43.3 p -63.06 -26.75 68.98 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.199 -0.938 . . . . 0.0 113.226 -178.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.68 -33.64 76.09 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.075 0.852 . . . . 0.0 111.827 171.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.3 t -68.21 -45.16 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 121.594 -0.691 . . . . 0.0 110.129 177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 63.2 mtt -61.4 -44.44 97.14 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.74 0.816 . . . . 0.0 112.244 173.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -51.08 -58.27 6.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.025 0.93 . . . . 0.0 112.246 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.8 m -67.72 -16.28 64.06 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.07 -29.0 22.22 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.847 0.859 . . . . 0.0 112.264 173.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 14.8 m-30 -103.91 -39.03 6.76 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -170.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 63.4 p -130.08 -16.42 3.62 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.972 1.309 . . . . 0.0 114.267 -173.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -87.77 -131.63 3.58 Favored Glycine 0 CA--C 1.53 1.003 0 C-N-CA 124.184 0.897 . . . . 0.0 111.144 169.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -142.44 140.57 19.08 Favored Pre-proline 0 CA--C 1.551 0.986 0 C-N-CA 124.701 1.2 . . . . 0.0 111.065 176.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_exo -55.17 -14.39 8.7 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 124.363 3.375 . . . . 0.0 116.955 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -85.65 -8.28 58.32 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.526 1.13 . . . . 0.0 112.876 178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -68.15 150.8 47.9 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.968 1.307 . . . . 0.0 112.636 174.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -50.95 -40.5 57.62 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.075 1.35 . . . . 0.0 113.668 -176.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.8 -35.62 72.62 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.155 0.889 . . . . 0.0 112.292 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.22 -36.99 58.31 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.524 0.729 . . . . 0.0 112.14 173.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.02 -41.18 91.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 124.238 1.015 . . . . 0.0 110.88 172.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.81 71.8 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.998 0.919 . . . . 0.0 111.805 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -54.33 -48.57 71.23 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.164 0.586 . . . . 0.0 112.091 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -60.57 -48.04 83.51 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 119.139 0.881 . . . . 0.0 111.99 178.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.2 mt -63.14 -34.3 77.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.357 1.063 . . . . 0.0 112.613 178.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 19' ' ' VAL . 51.7 mt -77.35 -35.6 22.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.212 1.005 . . . . 0.0 111.773 177.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.38 -46.17 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 O-C-N 121.497 -0.752 . . . . 0.0 109.58 169.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -62.35 -44.34 96.7 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.433 0.693 . . . . 0.0 111.962 175.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -55.12 -55.5 30.44 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 118.956 0.798 . . . . 0.0 110.71 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.9 mtp-105 -61.06 -53.2 60.1 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.523 1.129 . . . . 0.0 113.316 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -86.0 -35.18 20.55 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -169.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.7 mm -105.94 -32.02 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.245 0 C-N-CA 124.219 1.008 . . . . 0.0 113.017 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 27.3 ttt 113.41 -39.2 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 131.332 3.853 . . . . 0.0 109.921 -172.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -168.39 163.97 12.78 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.513 2.325 . . . . 0.0 110.553 175.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -68.85 -27.76 66.11 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 121.5 -0.75 . . . . 0.0 112.998 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -144.79 165.75 27.19 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.96 1.304 . . . . 0.0 112.586 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.4 p -81.47 161.14 23.78 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.552 1.141 . . . . 0.0 113.14 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--O 1.256 1.436 0 C-N-CA 124.936 1.295 . . . . 0.0 113.236 176.79 . . . . . . . . 0 0 . 1 stop_ save_